methyl 2-ethanoylsulfanyl-3-(4-methylphenyl)propanoate

Systemtic Name: methyl 2-ethanoylsulfanyl-3-(4-methylphenyl)propanoate Openeye Name: methyl 2-acetylsulfanyl-3-(p-tolyl)propanoate CAS Name: 2-(acetylthio)-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-acetylsulfanyl-3-(4-methylphenyl)propanoate Traditional Name: 2-(acetylthio)-3-(p-tolyl)propionic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)OC)SC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)OC)SC(=O)C

InChI

InChI=1S/C13H16O3S/c1-9-4-6-11(7-5-9)8-12(13(15)16-3)17-10(2)14/h4-7,12H,8H2,1-3H3