S-ethyl (2S,3R)-2-methyl-5-oxidanylidene-3-phenyl-hexanethioate

Systemtic Name: S-ethyl (2S,3R)-2-methyl-5-oxidanylidene-3-phenyl-hexanethioate Openeye Name: S-ethyl (2S,3R)-2-methyl-5-oxo-3-phenyl-hexanethioate CAS Name: (2S,3R)-2-methyl-5-oxo-3-phenylhexanethioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3R)-2-methyl-5-oxo-3-phenylhexanethioate Traditional Name: (2S,3R)-5-keto-2-methyl-3-phenyl-hexanethioic acid S-ethyl ester Formula: C15H20O2S MolecularWeight: 264.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O2S/c1-4-18-15(17)12(3)14(10-11(2)16)13-8-6-5-7-9-13/h5-9,12,14H,4,10H2,1-3H3/t12-,14+/m0/s1