butyl 2-methyl-2-(3-methylphenyl)sulfanyl-propanoate

Systemtic Name: butyl 2-methyl-2-(3-methylphenyl)sulfanyl-propanoate Openeye Name: butyl 2-methyl-2-(m-tolylsulfanyl)propanoate CAS Name: 2-methyl-2-[(3-methylphenyl)thio]propanoic acid butyl ester IUPAC Name: butyl 2-methyl-2-(3-methylphenyl)sulfanylpropanoate Traditional Name: 2-methyl-2-(m-tolylthio)propionic acid butyl ester Formula: C15H22O2S MolecularWeight: 266.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)(C)SC1=CC=CC(=C1)C

Isomeric SMILES

CCCCOC(=O)C(C)(C)SC1=CC=CC(=C1)C

InChI

InChI=1S/C15H22O2S/c1-5-6-10-17-14(16)15(3,4)18-13-9-7-8-12(2)11-13/h7-9,11H,5-6,10H2,1-4H3