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

Systemtic Name: 2-[(5E)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5E)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5E)-4-keto-2-thioxo-5-vanillylidene-thiazolidin-3-yl]-4-(methylthio)butyric acid Formula: C16H17NO5S3 MolecularWeight: 399.50488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5S3/c1-22-12-7-9(3-4-11(12)18)8-13-14(19)17(16(23)25-13)10(15(20)21)5-6-24-2/h3-4,7-8,10,18H,5-6H2,1-2H3,(H,20,21)/b13-8+