[(1R,2S)-4-oxidanylidene-2-(phenylmethylsulfanyl)cyclohexyl] ethanoate

Systemtic Name: [(1R,2S)-4-oxidanylidene-2-(phenylmethylsulfanyl)cyclohexyl] ethanoate Openeye Name: [(1R,2S)-2-benzylsulfanyl-4-oxo-cyclohexyl] acetate CAS Name: acetic acid [(1R,2S)-4-oxo-2-(phenylmethylthio)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-benzylsulfanyl-4-oxocyclohexyl] acetate Traditional Name: acetic acid [(1R,2S)-2-(benzylthio)-4-keto-cyclohexyl] ester Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(=O)CC1SCC2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@@H]1CCC(=O)C[C@@H]1SCC2=CC=CC=C2

InChI

InChI=1S/C15H18O3S/c1-11(16)18-14-8-7-13(17)9-15(14)19-10-12-5-3-2-4-6-12/h2-6,14-15H,7-10H2,1H3/t14-,15+/m1/s1