methyl 3-[(5E)-4-oxidanylidene-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

Systemtic Name: methyl 3-[(5E)-4-oxidanylidene-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: methyl 3-[(5E)-4-oxo-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 3-[(5E)-4-oxo-5-(3-pyridinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 3-[(5E)-4-keto-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]benzoic acid methyl ester Formula: C17H12N2O3S2 MolecularWeight: 356.41878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=O)C(=CC3=CN=CC=C3)SC2=S

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=O)/C(=C\C3=CN=CC=C3)/SC2=S

InChI

InChI=1S/C17H12N2O3S2/c1-22-16(21)12-5-2-6-13(9-12)19-15(20)14(24-17(19)23)8-11-4-3-7-18-10-11/h2-10H,1H3/b14-8+