12005780
  -OEChem-05062403152D

 62 67  0     1  0  0  0  0  0999 V2000
    4.2601    2.6291    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2373   -0.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3221    2.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8695   -0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.4098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.4098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386    0.4207    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5202    1.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1296   -1.7059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6296   -0.1671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1296    1.3718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8206    0.4207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1296    1.3718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9354    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4327    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7391    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8265    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3239    1.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8206   -0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1296   -1.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4540   -0.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8146   -2.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1570   -1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8351   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4946   -3.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5013   -3.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    2.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    3.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8680    2.1805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5569   -0.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3912    2.1805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3509    2.4141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214    2.4156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3691   -0.1934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0393    0.2953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3055    1.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0492    1.9058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7652   -2.2075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6388    0.0692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629   -1.1600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9072   -3.2397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2962   -4.0255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0820   -3.6365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0390   -3.4408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9144   -3.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9637   -2.6146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.9586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    1.1774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    0.7793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1739    3.8025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    3.9397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707    3.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -1.4098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.0298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -1.4098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 31  1  0  0  0  0
  2 18  2  0  0  0  0
  3 19  2  0  0  0  0
  4 20  2  0  0  0  0
  5 32  1  0  0  0  0
  5 35  1  0  0  0  0
  6 32  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 24  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 45  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 20  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 36  1  1  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 12 37  1  1  0  0  0
 13 19  1  0  0  0  0
 13 38  1  1  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 25  2  0  0  0  0
 22 46  1  0  0  0  0
 23 26  2  0  0  0  0
 23 28  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 32  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 31  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
 33 56  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12005780

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
990

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAWLFixIwAAAAAAAWLFgBwAAAHgQQAAAADajB2AYyyYPABAiMAiXSWACDAIBlCBgIiBGITMgIZjrg9bmUMYhmxCHo6Uedi8CewAACQAASAACAAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 2-[(3aR,4S,8aS,8bS)-6',7'-dimethyl-1,2',3-trioxo-spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indoline]-2-yl]-4,5-dimethyl-thiophene-3-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(3S,3'aR,8'aS,8'bS)-6,7-dimethyl-1',2,3'-trioxo-2'-spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]yl]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 2-[(3<I>S</I>,3&apos;<I>a</I><I>R</I>,8&apos;<I>a</I><I>S</I>,8&apos;<I>b</I><I>S</I>)-6,7-dimethyl-1&apos;,2,3&apos;-trioxospiro[1<I>H</I>-indole-3,4&apos;-3<I>a</I>,6,7,8,8<I>a</I>,8<I>b</I>-hexahydropyrrolo[3,4-a]pyrrolizine]-2&apos;-yl]-4,5-dimethylthiophene-3-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl 2-[(3S,3'aR,8'aS,8'bS)-6,7-dimethyl-1',2,3'-trioxospiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-2'-yl]-4,5-dimethylthiophene-3-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 2-[(3S,3'aR,8'aS,8'bS)-6,7-dimethyl-1',2,3'-tris(oxidanylidene)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-2'-yl]-4,5-dimethyl-thiophene-3-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(3aR,4S,8aS,8bS)-1,2',3-triketo-6',7'-dimethyl-spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indoline]-2-yl]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H27N3O5S/c1-11-8-9-15-20(12(11)2)27-25(33)26(15)19-18(16-7-6-10-28(16)26)21(30)29(22(19)31)23-17(24(32)34-5)13(3)14(4)35-23/h8-9,16,18-19H,6-7,10H2,1-5H3,(H,27,33)/t16-,18+,19-,26+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
KEXIBPOVFPQKCC-VDDIBKCXSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
493.16714214

> <PUBCHEM_MOLECULAR_FORMULA>
C26H27N3O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
493.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(C=C1)C3(C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C(=C(S6)C)C)C(=O)OC)C(=O)N2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(C=C1)[C@@]3([C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=C(C(=C(S6)C)C)C(=O)OC)C(=O)N2)C

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
493.16714214

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  24  8
1  31  8
10  20  5
11  36  5
12  37  5
13  38  5
17  21  8
17  22  8
21  23  8
22  25  8
23  26  8
24  27  8
25  26  8
27  30  8
30  31  8

$$$$