methyl 2-methyl-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-methyl-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-methyl-propanoate CAS Name: 2-methyl-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-methylpropanoate Traditional Name: 3-(benzylthio)-2-methyl-propionic acid methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(CSCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C12H16O2S/c1-10(12(13)14-2)8-15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3