ethyl (2R,3S)-4,4-dimethyl-2,3-bis(oxidanyl)-5-phenylsulfanyl-pentanoate

Systemtic Name: ethyl (2R,3S)-4,4-dimethyl-2,3-bis(oxidanyl)-5-phenylsulfanyl-pentanoate Openeye Name: ethyl (2R,3S)-2,3-dihydroxy-4,4-dimethyl-5-phenylsulfanyl-pentanoate CAS Name: (2R,3S)-2,3-dihydroxy-4,4-dimethyl-5-(phenylthio)pentanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2,3-dihydroxy-4,4-dimethyl-5-phenylsulfanylpentanoate Traditional Name: (2R,3S)-2,3-dihydroxy-4,4-dimethyl-5-(phenylthio)valeric acid ethyl ester Formula: C15H22O4S MolecularWeight: 298.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)(C)CSC1=CC=CC=C1)O)O

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C(C)(C)CSC1=CC=CC=C1)O)O

InChI

InChI=1S/C15H22O4S/c1-4-19-14(18)12(16)13(17)15(2,3)10-20-11-8-6-5-7-9-11/h5-9,12-13,16-17H,4,10H2,1-3H3/t12-,13-/m1/s1