2-[4-[(3-methylphenyl)sulfanylmethyl]phenyl]ethanoate

Systemtic Name: 2-[4-[(3-methylphenyl)sulfanylmethyl]phenyl]ethanoate Openeye Name: 2-[4-(m-tolylsulfanylmethyl)phenyl]acetate CAS Name: 2-[4-[[(3-methylphenyl)thio]methyl]phenyl]acetate IUPAC Name: 2-[4-[(3-methylphenyl)sulfanylmethyl]phenyl]acetate Traditional Name: 2-[4-[(m-tolylthio)methyl]phenyl]acetate Formula: C16H15O2S- MolecularWeight: 271.3541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)SCC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C16H16O2S/c1-12-3-2-4-15(9-12)19-11-14-7-5-13(6-8-14)10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18)/p-1