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

Systemtic Name: 3-[5-[(4-methyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[5-[(4-methyl-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[4-keto-5-(4-methyl-3-nitro-benzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C18H12N2O5S2 MolecularWeight: 400.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O5S2/c1-10-5-6-11(7-14(10)20(24)25)8-15-16(21)19(18(26)27-15)13-4-2-3-12(9-13)17(22)23/h2-9H,1H3,(H,22,23)