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

Systemtic Name: 4-[(5Z)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5Z)-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C18H12N2O7S2 MolecularWeight: 432.42708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H12N2O7S2/c1-27-13-7-9(6-12(15(13)21)20(25)26)8-14-16(22)19(18(28)29-14)11-4-2-10(3-5-11)17(23)24/h2-8,21H,1H3,(H,23,24)/b14-8-