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

Systemtic Name: 3-[(5E)-5-[(3-bromanyl-4-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-5-[(3-bromo-4-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-5-(3-bromo-4-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C18H12BrNO4S2 MolecularWeight: 450.32618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C18H12BrNO4S2/c1-24-14-6-5-10(7-13(14)19)8-15-16(21)20(18(25)26-15)12-4-2-3-11(9-12)17(22)23/h2-9H,1H3,(H,22,23)/b15-8+