S-ethyl (3S,4S)-3,4-dimethyl-5-phenylmethoxy-pentanethioate

Systemtic Name: S-ethyl (3S,4S)-3,4-dimethyl-5-phenylmethoxy-pentanethioate Openeye Name: S-ethyl (3S,4S)-5-benzyloxy-3,4-dimethyl-pentanethioate CAS Name: (3S,4S)-3,4-dimethyl-5-phenylmethoxypentanethioic acid S-ethyl ester IUPAC Name: S-ethyl (3S,4S)-3,4-dimethyl-5-phenylmethoxypentanethioate Traditional Name: (3S,4S)-5-benzoxy-3,4-dimethyl-pentanethioic acid S-ethyl ester Formula: C16H24O2S MolecularWeight: 280.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC(C)C(C)COCC1=CC=CC=C1

Isomeric SMILES

CCSC(=O)C[C@H](C)[C@H](C)COCC1=CC=CC=C1

InChI

InChI=1S/C16H24O2S/c1-4-19-16(17)10-13(2)14(3)11-18-12-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3/t13-,14+/m0/s1