ethanoyl 3-methylsulfanyl-2-phenyl-butanoate

Systemtic Name: ethanoyl 3-methylsulfanyl-2-phenyl-butanoate Openeye Name: acetyl 3-methylsulfanyl-2-phenyl-butanoate CAS Name: 3-(methylthio)-2-phenylbutanoic acid acetyl ester IUPAC Name: acetyl 3-methylsulfanyl-2-phenylbutanoate Traditional Name: 3-(methylthio)-2-phenyl-butyric acid acetyl ester Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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