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

Systemtic Name: methyl (2S)-3-[(1S)-1-methyl-2-oxidanylidene-cyclohexyl]-2-phenylsulfanyl-propanoate Openeye Name: methyl (2S)-3-[(1S)-1-methyl-2-oxo-cyclohexyl]-2-phenylsulfanyl-propanoate CAS Name: (2S)-3-[(1S)-1-methyl-2-oxocyclohexyl]-2-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[(1S)-1-methyl-2-oxocyclohexyl]-2-phenylsulfanylpropanoate Traditional Name: (2S)-3-[(1S)-2-keto-1-methyl-cyclohexyl]-2-(phenylthio)propionic acid methyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)CC(C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3S/c1-17(11-7-6-10-15(17)18)12-14(16(19)20-2)21-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3/t14-,17-/m0/s1