(2S,3S)-2-methoxy-2-methyl-3-phenylsulfanyl-cyclopentan-1-one

Systemtic Name: (2S,3S)-2-methoxy-2-methyl-3-phenylsulfanyl-cyclopentan-1-one Openeye Name: (2S,3S)-2-methoxy-2-methyl-3-phenylsulfanyl-cyclopentanone CAS Name: (2S,3S)-2-methoxy-2-methyl-3-(phenylthio)-1-cyclopentanone IUPAC Name: (2S,3S)-2-methoxy-2-methyl-3-phenylsulfanylcyclopentan-1-one Traditional Name: (2S,3S)-2-methoxy-2-methyl-3-(phenylthio)cyclopentanone Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1=O)SC2=CC=CC=C2)OC

Isomeric SMILES

C[C@]1([C@H](CCC1=O)SC2=CC=CC=C2)OC

InChI

InChI=1S/C13H16O2S/c1-13(15-2)11(14)8-9-12(13)16-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-,13-/m0/s1