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

Systemtic Name: 4-[(5Z)-5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5Z)-5-[(2-bromo-4,5-dimethoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-(2-bromo-4,5-dimethoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C16H15BrNO5S2- MolecularWeight: 445.328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)[O-])Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO5S2/c1-22-11-6-9(10(17)8-12(11)23-2)7-13-15(21)18(16(24)25-13)5-3-4-14(19)20/h6-8H,3-5H2,1-2H3,(H,19,20)/p-1/b13-7-