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

Systemtic Name: 4-[(5E)-5-[(4-bromanyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5E)-5-[(4-bromo-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5E)-5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5E)-5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5E)-5-(4-bromo-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C17H9BrN2O5S2 MolecularWeight: 465.29776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)C(=CC3=CC(=C(C=C3)Br)[N+](=O)[O-])SC2=S

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)/C(=C\C3=CC(=C(C=C3)Br)[N+](=O)[O-])/SC2=S

InChI

InChI=1S/C17H9BrN2O5S2/c18-12-6-1-9(7-13(12)20(24)25)8-14-15(21)19(17(26)27-14)11-4-2-10(3-5-11)16(22)23/h1-8H,(H,22,23)/b14-8+