methyl 3-[(3-methylphenyl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(3-methylphenyl)methylsulfanyl]propanoate Openeye Name: methyl 3-(m-tolylmethylsulfanyl)propanoate CAS Name: 3-[(3-methylphenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-methylphenyl)methylsulfanyl]propanoate Traditional Name: 3-[(3-methylbenzyl)thio]propionic acid methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSCCC(=O)OC

InChI

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