4-methoxy-5-(phenylmethylsulfanyl)pentan-2-one

Systemtic Name: 4-methoxy-5-(phenylmethylsulfanyl)pentan-2-one Openeye Name: 5-benzylsulfanyl-4-methoxy-pentan-2-one CAS Name: 4-methoxy-5-(phenylmethylthio)-2-pentanone IUPAC Name: 5-benzylsulfanyl-4-methoxypentan-2-one Traditional Name: 5-(benzylthio)-4-methoxy-pentan-2-one Formula: C13H18O2S MolecularWeight: 238.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CSCC1=CC=CC=C1)OC

Isomeric SMILES

CC(=O)CC(CSCC1=CC=CC=C1)OC

InChI

InChI=1S/C13H18O2S/c1-11(14)8-13(15-2)10-16-9-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3