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

Systemtic Name: 3-[(5E)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C18H12BrNO5S2 MolecularWeight: 466.32558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrNO5S2/c1-25-13-6-9(5-12(19)15(13)21)7-14-16(22)20(18(26)27-14)11-4-2-3-10(8-11)17(23)24/h2-8,21H,1H3,(H,23,24)/b14-7+