methyl 4-methyl-3-phenylsulfanyl-pentanoate

Systemtic Name: methyl 4-methyl-3-phenylsulfanyl-pentanoate Openeye Name: methyl 4-methyl-3-phenylsulfanyl-pentanoate CAS Name: 4-methyl-3-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-3-phenylsulfanylpentanoate Traditional Name: 4-methyl-3-(phenylthio)valeric acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-10(2)12(9-13(14)15-3)16-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3