methyl 3-methyl-4-oxidanylidene-4-(4-sulfanylphenyl)butanoate

Systemtic Name: methyl 3-methyl-4-oxidanylidene-4-(4-sulfanylphenyl)butanoate Openeye Name: methyl 3-methyl-4-oxo-4-(4-sulfanylphenyl)butanoate CAS Name: 4-(4-mercaptophenyl)-3-methyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 3-methyl-4-oxo-4-(4-sulfanylphenyl)butanoate Traditional Name: 4-keto-4-(4-mercaptophenyl)-3-methyl-butyric acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(=O)C1=CC=C(C=C1)S

Isomeric SMILES

CC(CC(=O)OC)C(=O)C1=CC=C(C=C1)S

InChI

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