1-phenylpropyl 2-methylsulfanylbutanoate

Systemtic Name: 1-phenylpropyl 2-methylsulfanylbutanoate Openeye Name: 1-phenylpropyl 2-methylsulfanylbutanoate CAS Name: 2-(methylthio)butanoic acid 1-phenylpropyl ester IUPAC Name: 1-phenylpropyl 2-methylsulfanylbutanoate Traditional Name: 2-(methylthio)butyric acid 1-phenylpropyl ester Formula: C14H20O2S MolecularWeight: 252.3724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)OC(=O)C(CC)SC

Isomeric SMILES

CCC(C1=CC=CC=C1)OC(=O)C(CC)SC

InChI

InChI=1S/C14H20O2S/c1-4-12(11-9-7-6-8-10-11)16-14(15)13(5-2)17-3/h6-10,12-13H,4-5H2,1-3H3