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

Systemtic Name: 2-[(5Z)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: 2-[(5Z)-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C16H14N2O9S2 MolecularWeight: 442.42036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O9S2/c1-27-10-5-7(4-9(13(10)21)18(25)26)6-11-14(22)17(16(28)29-11)8(15(23)24)2-3-12(19)20/h4-6,8,21H,2-3H2,1H3,(H,19,20)(H,23,24)/b11-6-