S-(phenylmethyl) (2R,3S)-2-methyl-3-phenylsulfanyl-octanethioate

Systemtic Name: S-(phenylmethyl) (2R,3S)-2-methyl-3-phenylsulfanyl-octanethioate Openeye Name: S-benzyl (2R,3S)-2-methyl-3-phenylsulfanyl-octanethioate CAS Name: (2R,3S)-2-methyl-3-(phenylthio)octanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (2R,3S)-2-methyl-3-phenylsulfanyloctanethioate Traditional Name: (2R,3S)-2-methyl-3-(phenylthio)octanethioic acid S-benzyl ester Formula: C22H28OS2 MolecularWeight: 372.58712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)C(=O)SCC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCCCC[C@@H]([C@@H](C)C(=O)SCC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C22H28OS2/c1-3-4-7-16-21(25-20-14-10-6-11-15-20)18(2)22(23)24-17-19-12-8-5-9-13-19/h5-6,8-15,18,21H,3-4,7,16-17H2,1-2H3/t18-,21+/m1/s1