4-[(5Z)-5-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5Z)-5-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[(3-bromo-4,5-dimethoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(3-bromo-4,5-dimethoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C16H16BrNO5S2 MolecularWeight: 446.33594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO5S2/c1-22-11-7-9(6-10(17)14(11)23-2)8-12-15(21)18(16(24)25-12)5-3-4-13(19)20/h6-8H,3-5H2,1-2H3,(H,19,20)/b12-8-