2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

Systemtic Name: 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: 2-[(5Z)-5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: 2-[(5Z)-4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C15H12N2O7S2 MolecularWeight: 396.39498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O7S2/c18-12(19)6-5-10(14(21)22)16-13(20)11(26-15(16)25)7-8-1-3-9(4-2-8)17(23)24/h1-4,7,10H,5-6H2,(H,18,19)(H,21,22)/b11-7-