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

Systemtic Name: 3-[(5E)-4-oxidanylidene-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-4-oxo-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-4-oxo-5-(3-pyridinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-4-keto-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C16H10N2O3S2 MolecularWeight: 342.3922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O3S2/c19-14-13(7-10-3-2-6-17-9-10)23-16(22)18(14)12-5-1-4-11(8-12)15(20)21/h1-9H,(H,20,21)/b13-7+