S-ethyl (3S,4R)-3-oxidanyl-4-phenyl-pentanethioate

Systemtic Name: S-ethyl (3S,4R)-3-oxidanyl-4-phenyl-pentanethioate Openeye Name: S-ethyl (3S,4R)-3-hydroxy-4-phenyl-pentanethioate CAS Name: (3S,4R)-3-hydroxy-4-phenylpentanethioic acid S-ethyl ester IUPAC Name: S-ethyl (3S,4R)-3-hydroxy-4-phenylpentanethioate Traditional Name: (3S,4R)-3-hydroxy-4-phenyl-pentanethioic acid S-ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC(C(C)C1=CC=CC=C1)O

Isomeric SMILES

CCSC(=O)C[C@@H]([C@H](C)C1=CC=CC=C1)O

InChI

InChI=1S/C13H18O2S/c1-3-16-13(15)9-12(14)10(2)11-7-5-4-6-8-11/h4-8,10,12,14H,3,9H2,1-2H3/t10-,12+/m1/s1