24979561
  -OEChem-04262403302D

 59 62  0     1  0  0  0  0  0999 V2000
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    6.8870    4.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0768   -2.7438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6270    3.0492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5768   -1.2049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.2108   -5.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9360    4.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4788   -4.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2079    5.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    5.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    7.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8583   -0.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7014   -1.9038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5120   -0.5883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124    0.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940    1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3773    0.8807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6454    2.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
24979561

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
867

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uABAAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAAAAABwAAAHgQQAAAADQzB2gY+xpPIFAioAjV3VACCiCBxIjAI2KE/bNgOZ/rE8ZuVMChl1jXY6Ye1YAwMAEAACAAAEAAAgAAQAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2,4-dimethoxyphenyl)-N-[2-[(5Z)-2,4-dioxo-5-(3-pyridylmethylene)thiazolidin-3-yl]ethyl]-5-oxo-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2,4-dimethoxyphenyl)-N-[2-[(5Z)-2,4-dioxo-5-(3-pyridinylmethylidene)-3-thiazolidinyl]ethyl]-5-oxo-3-pyrrolidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2,4-dimethoxyphenyl)-<I>N</I>-[2-[(5<I>Z</I>)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-(2,4-dimethoxyphenyl)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[(5Z)-2,4-bis(oxidanylidene)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[(5Z)-2,4-diketo-5-(3-pyridylmethylene)thiazolidin-3-yl]ethyl]-1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H24N4O6S/c1-33-17-5-6-18(19(12-17)34-2)28-14-16(11-21(28)29)22(30)26-8-9-27-23(31)20(35-24(27)32)10-15-4-3-7-25-13-15/h3-7,10,12-13,16H,8-9,11,14H2,1-2H3,(H,26,30)/b20-10-

> <PUBCHEM_IUPAC_INCHIKEY>
PWXVNYGCJURVEY-JMIUGGIZSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
496.14165567

> <PUBCHEM_MOLECULAR_FORMULA>
C24H24N4O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
496.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NCCN3C(=O)C(=CC4=CN=CC=C4)SC3=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NCCN3C(=O)/C(=C/C4=CN=CC=C4)/SC3=O)OC

> <PUBCHEM_CACTVS_TPSA>
143

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
496.14165567

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
11  33  8
11  35  8
12  16  3
17  19  8
17  20  8
19  22  8
20  23  8
22  24  8
23  24  8
31  32  8
31  33  8
32  34  8
34  35  8

$$$$