S-methyl (2S,3S)-3-oxidanyl-2-[(1S)-1-phenylethyl]octanethioate

Systemtic Name: S-methyl (2S,3S)-3-oxidanyl-2-[(1S)-1-phenylethyl]octanethioate Openeye Name: S-methyl (2S,3S)-3-hydroxy-2-[(1S)-1-phenylethyl]octanethioate CAS Name: (2S,3S)-3-hydroxy-2-[(1S)-1-phenylethyl]octanethioic acid S-methyl ester IUPAC Name: S-methyl (2S,3S)-3-hydroxy-2-[(1S)-1-phenylethyl]octanethioate Traditional Name: (2S,3S)-3-hydroxy-2-[(1S)-1-phenylethyl]octanethioic acid S-methyl ester Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(C)C1=CC=CC=C1)C(=O)SC)O

Isomeric SMILES

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

InChI

InChI=1S/C17H26O2S/c1-4-5-7-12-15(18)16(17(19)20-3)13(2)14-10-8-6-9-11-14/h6,8-11,13,15-16,18H,4-5,7,12H2,1-3H3/t13-,15+,16+/m1/s1