methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-15-12(14)8-7-11(13)9-3-5-10(16-2)6-4-9/h3-6H,7-8H2,1-2H3