S-ethyl (3S)-3-oxidanyl-5-phenyl-pentanethioate

Systemtic Name: S-ethyl (3S)-3-oxidanyl-5-phenyl-pentanethioate Openeye Name: S-ethyl (3S)-3-hydroxy-5-phenyl-pentanethioate CAS Name: (3S)-3-hydroxy-5-phenylpentanethioic acid S-ethyl ester IUPAC Name: S-ethyl (3S)-3-hydroxy-5-phenylpentanethioate Traditional Name: (3S)-3-hydroxy-5-phenyl-pentanethioic acid S-ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC(CCC1=CC=CC=C1)O

Isomeric SMILES

CCSC(=O)C[C@H](CCC1=CC=CC=C1)O

InChI

InChI=1S/C13H18O2S/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3/t12-/m0/s1