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

Systemtic Name: 3-[(E)-[3-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 3-[(E)-[3-(4-nitrophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 3-[(E)-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 3-[(E)-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 3-[(E)-[4-keto-3-(4-nitrophenyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C17H10N2O5S2 MolecularWeight: 386.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H10N2O5S2/c20-15-14(9-10-2-1-3-11(8-10)16(21)22)26-17(25)18(15)12-4-6-13(7-5-12)19(23)24/h1-9H,(H,21,22)/b14-9+