S-ethyl (2R,3S)-2-methyl-3-oxidanyl-5-phenyl-pentanethioate

Systemtic Name: S-ethyl (2R,3S)-2-methyl-3-oxidanyl-5-phenyl-pentanethioate Openeye Name: S-ethyl (2R,3S)-3-hydroxy-2-methyl-5-phenyl-pentanethioate CAS Name: (2R,3S)-3-hydroxy-2-methyl-5-phenylpentanethioic acid S-ethyl ester IUPAC Name: S-ethyl (2R,3S)-3-hydroxy-2-methyl-5-phenylpentanethioate Traditional Name: (2R,3S)-3-hydroxy-2-methyl-5-phenyl-pentanethioic acid S-ethyl ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2S/c1-3-17-14(16)11(2)13(15)10-9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3/t11-,13+/m1/s1