3245690
  -OEChem-05102400232D

 39 43  0     0  0  0  0  0  0999 V2000
    5.6051    0.7567    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836    1.9238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1353   -1.9284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1006   -3.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5938    0.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9989    1.5614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0938   -0.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836    3.5332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    1.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5298    2.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5298    3.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0938   -1.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5938   -2.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5938   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6630   -2.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    3.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1422   -3.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5938    0.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5938   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    3.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5938   -2.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0938   -1.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0938   -0.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1390   -3.2237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359   -2.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0314   -4.3385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7243   -3.9420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    3.5385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9038   -0.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    4.3485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2838   -3.3474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4738   -1.9444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7838   -0.7493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.7285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  1  0  0  0  0
  5 24  2  0  0  0  0
  6 11  1  0  0  0  0
  6 19  2  0  0  0  0
  7 19  1  0  0  0  0
  7 24  1  0  0  0  0
  7 36  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 22  1  0  0  0  0
 15 20  2  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 17 31  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 25 26  1  0  0  0  0
 26 37  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3245690

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
554

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MABgAAAAAAAAAAAAAAAAAWLAAAA0YIAAAAAAAFiR/gAAHgQQAAAADAyh3gIz17LIFAisAyVydACD+KllKjkJmDU27NiNJrLkvZuGOS7swRPq6ae63BLOIACBACAAQwBAAQIAQACGAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(7-methylthiazolo[4,5-g][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(7-methyl-2-thiazolo[4,5-g][1,3]benzothiazolyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(7-methylthiazolo[4,5-g][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H13N3O3S2/c1-9-19-11-3-4-12-16(15(11)25-9)26-18(20-12)21-17(22)10-2-5-13-14(8-10)24-7-6-23-13/h2-5,8H,6-7H2,1H3,(H,20,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
IFQFNUKITGLCGT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
383.03983363

> <PUBCHEM_MOLECULAR_FORMULA>
C18H13N3O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
383.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC5=C(C=C4)OCCO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC5=C(C=C4)OCCO5

> <PUBCHEM_CACTVS_TPSA>
130

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.03983363

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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  19  8
1  9  8
10  12  8
11  17  8
12  21  8
13  14  8
13  20  8
14  22  8
15  20  8
15  23  8
17  21  8
2  10  8
2  25  8
22  23  8
6  11  8
6  19  8
8  12  8
8  25  8
9  10  8
9  11  8

$$$$