1555597
  -OEChem-05241304292D

 39 41  0     0  0  0  0  0  0999 V2000
    5.0981   -0.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -1.6268    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380   -1.6268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    0.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9170    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7360    3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1482    3.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372    4.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5549    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5494    4.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937    0.3775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5336    1.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    2.1001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0949    2.6814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316    3.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.8686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.9425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7538    4.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1905    5.3026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016    5.4719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 22  1  0  0  0  0
 19 32  1  0  0  0  0
 20 23  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1555597

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
538

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MABgAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgQAAAAADAyB2AIyxoMABAiMAiVSUACCCABhIhgIiAAHbMgOJiLEsZuFMChkxBHY6YeQwAAOAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z)-3-(2-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-thiazolidin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z)-3-(2-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-4-thiazolidinone

> <PUBCHEM_IUPAC_NAME>
(5Z)-3-(2-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-3-(2-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z)-3-(2-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-thiazolidin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15NO2S2/c1-22-16-12-6-5-11-15(16)20-18(21)17(24-19(20)23)13-7-10-14-8-3-2-4-9-14/h2-13H,1H3/b10-7+,17-13-

> <PUBCHEM_IUPAC_INCHIKEY>
BCTRHWYEJXXTFR-DESBJYGPSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
353.054421

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15NO2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
353.4579

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=S

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1N2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S

> <PUBCHEM_CACTVS_TPSA>
86.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
353.054421

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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>
10  13  8
12  15  8
13  15  8
17  19  8
17  20  8
19  22  8
20  23  8
22  24  8
23  24  8
6  10  8
6  8  8
8  12  8

$$$$