2-ethanoyl-3-(phenylsulfanylmethyl)cyclopentan-1-one

Systemtic Name: 2-ethanoyl-3-(phenylsulfanylmethyl)cyclopentan-1-one Openeye Name: 2-acetyl-3-(phenylsulfanylmethyl)cyclopentanone CAS Name: 2-acetyl-3-[(phenylthio)methyl]-1-cyclopentanone IUPAC Name: 2-acetyl-3-(phenylsulfanylmethyl)cyclopentan-1-one Traditional Name: 2-acetyl-3-[(phenylthio)methyl]cyclopentanone Formula: C14H16O2S MolecularWeight: 248.34064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CCC1=O)CSC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1C(CCC1=O)CSC2=CC=CC=C2

InChI

InChI=1S/C14H16O2S/c1-10(15)14-11(7-8-13(14)16)9-17-12-5-3-2-4-6-12/h2-6,11,14H,7-9H2,1H3