S-phenyl (3S)-3-methylpentanethioate

Systemtic Name: S-phenyl (3S)-3-methylpentanethioate Openeye Name: S-phenyl (3S)-3-methylpentanethioate CAS Name: (3S)-3-methylpentanethioic acid S-phenyl ester IUPAC Name: S-phenyl (3S)-3-methylpentanethioate Traditional Name: (3S)-3-methylpentanethioic acid S-phenyl ester Formula: C12H16OS MolecularWeight: 208.31984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)CC(=O)SC1=CC=CC=C1

InChI

InChI=1S/C12H16OS/c1-3-10(2)9-12(13)14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1