4-[[3-[(2-nitrophenyl)carbonylamino]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[3-[(2-nitrophenyl)carbonylamino]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[[3-[(2-nitrobenzoyl)amino]-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[[3-[[(2-nitrophenyl)-oxomethyl]amino]-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[[3-[(2-nitrobenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[[4-keto-3-[(2-nitrobenzoyl)amino]-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C18H11N3O6S2 MolecularWeight: 429.42644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O6S2/c22-15(12-3-1-2-4-13(12)21(26)27)19-20-16(23)14(29-18(20)28)9-10-5-7-11(8-6-10)17(24)25/h1-9H,(H,19,22)(H,24,25)