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

Systemtic Name: 3-[(5Z)-5-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5Z)-5-[(4-isopropyl-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5Z)-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5Z)-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5Z)-5-(4-isopropyl-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C20H16N2O5S2 MolecularWeight: 428.48144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5S2/c1-11(2)15-7-6-12(8-16(15)22(26)27)9-17-18(23)21(20(28)29-17)14-5-3-4-13(10-14)19(24)25/h3-11H,1-2H3,(H,24,25)/b17-9-