methyl 3-[(1S)-2-oxidanylidene-1-phenylsulfanyl-cyclohexyl]propanoate

Systemtic Name: methyl 3-[(1S)-2-oxidanylidene-1-phenylsulfanyl-cyclohexyl]propanoate Openeye Name: methyl 3-[(1S)-2-oxo-1-phenylsulfanyl-cyclohexyl]propanoate CAS Name: 3-[(1S)-2-oxo-1-(phenylthio)cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1S)-2-oxo-1-phenylsulfanylcyclohexyl]propanoate Traditional Name: 3-[(1S)-2-keto-1-(phenylthio)cyclohexyl]propionic acid methyl ester Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(CCCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC[C@]1(CCCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C16H20O3S/c1-19-15(18)10-12-16(11-6-5-9-14(16)17)20-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3/t16-/m0/s1