S-phenyl (2S,3R)-2-methyl-3-oxidanyl-heptanethioate

Systemtic Name: S-phenyl (2S,3R)-2-methyl-3-oxidanyl-heptanethioate Openeye Name: S-phenyl (2S,3R)-3-hydroxy-2-methyl-heptanethioate CAS Name: (2S,3R)-3-hydroxy-2-methylheptanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S,3R)-3-hydroxy-2-methylheptanethioate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-heptanethioic acid S-phenyl ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C(=O)SC1=CC=CC=C1)O

Isomeric SMILES

CCCC[C@H]([C@H](C)C(=O)SC1=CC=CC=C1)O

InChI

InChI=1S/C14H20O2S/c1-3-4-10-13(15)11(2)14(16)17-12-8-6-5-7-9-12/h5-9,11,13,15H,3-4,10H2,1-2H3/t11-,13+/m0/s1