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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)C(=CC3=CC=NC=C3)SC2=S

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)/C(=C\C3=CC=NC=C3)/SC2=S

InChI

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