23691034
  -OEChem-05142401332D

 50 52  0     1  0  0  0  0  0999 V2000
    9.0162   -3.3614    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    9.0672    0.9019    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4023   -1.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7071   -2.4103    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.3544   -1.8751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1162   -0.4071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4023    1.3056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6706    2.7488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1162    0.5929    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1079    0.5971    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0672   -0.7161    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6550    0.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1079   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5607    2.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4142    1.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    2.0431    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4641    0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4641   -0.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3763   -1.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0166    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5481    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9747    2.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3438    1.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6183    3.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564    1.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309    3.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9850    1.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3223    0.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4662   -1.3172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7011    2.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5749    3.3614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8285    0.1791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9656    1.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0996    1.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0996   -0.9965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9656   -0.8593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8285    0.0067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5684    2.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2992    3.7349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647    3.4657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4498    1.5224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1603    2.0363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463    2.7467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648    0.8465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094    3.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653    1.1032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099    3.8737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878    2.6168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  2  0  0  0  0
  4 16  2  0  0  0  0
  5 20  1  0  0  0  0
  6 20  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 17 32  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  2  0  0  0  0
 25 47  1  0  0  0  0
 26 28  2  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  CHG  2   1   1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23691034

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
695

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAQAAAAAAAAAAAAABYAWLAAAAwAAAABYAAAAABAAAAHgQQAAAADCjF2ASzCIPAAAiIAiHSGACCAABgABAIiIGIBIiKYDqglTGUIAhslwK4iAcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;6-(2,2-dimethyl-5-oxo-4-phenyl-imidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
potassium;6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;6-(2,2-dimethyl-5-oxidanylidene-4-phenyl-imidazolidin-1-yl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;7-keto-6-(5-keto-2,2-dimethyl-4-phenyl-imidazolidin-1-yl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
QRSPJBLLJXVPDD-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
427.09680885

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22KN3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
427.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+]

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
427.09680885

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_NONSTANDARDBOND>
1  5  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  29  3
11  30  3
12  31  3
17  32  3
23  24  8
23  25  8
24  26  8
25  27  8
26  28  8
27  28  8

$$$$