4-methyl-3-[(5Z)-4-oxidanylidene-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C(=CC3=CN=CC=C3)SC2=S

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)/C(=C/C3=CN=CC=C3)/SC2=S

InChI

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