S-ethyl (2S,3R)-3-oxidanyl-2-(phenylmethyl)octanethioate

Systemtic Name: S-ethyl (2S,3R)-3-oxidanyl-2-(phenylmethyl)octanethioate Openeye Name: S-ethyl (2S,3R)-2-benzyl-3-hydroxy-octanethioate CAS Name: (2S,3R)-3-hydroxy-2-(phenylmethyl)octanethioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3R)-2-benzyl-3-hydroxyoctanethioate Traditional Name: (2S,3R)-2-benzyl-3-hydroxy-octanethioic acid S-ethyl ester Formula: C17H26O2S MolecularWeight: 294.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC1=CC=CC=C1)C(=O)SCC)O

Isomeric SMILES

CCCCC[C@H]([C@H](CC1=CC=CC=C1)C(=O)SCC)O

InChI

InChI=1S/C17H26O2S/c1-3-5-7-12-16(18)15(17(19)20-4-2)13-14-10-8-6-9-11-14/h6,8-11,15-16,18H,3-5,7,12-13H2,1-2H3/t15-,16+/m0/s1