4-[[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid

Systemtic Name: 4-[[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid Openeye Name: 4-[[(5Z)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]methylamino]benzoic acid CAS Name: 4-[[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]methylamino]benzoic acid IUPAC Name: 4-[[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid Traditional Name: 4-[[(5Z)-4-keto-2-thioxo-5-vanillylidene-thiazolidin-3-yl]methylamino]benzoic acid Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C19H16N2O5S2/c1-26-15-8-11(2-7-14(15)22)9-16-17(23)21(19(27)28-16)10-20-13-5-3-12(4-6-13)18(24)25/h2-9,20,22H,10H2,1H3,(H,24,25)/b16-9-