methyl 4-(4-methylsulfanylphenyl)-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl 4-(4-methylsulfanylphenyl)-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl 4-hydroxy-4-(4-methylsulfanylphenyl)-2-oxo-but-3-enoate CAS Name: 4-hydroxy-4-[4-(methylthio)phenyl]-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl 4-hydroxy-4-(4-methylsulfanylphenyl)-2-oxobut-3-enoate Traditional Name: 4-hydroxy-2-keto-4-[4-(methylthio)phenyl]but-3-enoic acid methyl ester Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C=C(C1=CC=C(C=C1)SC)O

Isomeric SMILES

COC(=O)C(=O)C=C(C1=CC=C(C=C1)SC)O

InChI

InChI=1S/C12H12O4S/c1-16-12(15)11(14)7-10(13)8-3-5-9(17-2)6-4-8/h3-7,13H,1-2H3