ethyl 4-methyl-2-oxidanylidene-6-phenylsulfanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-methyl-2-oxidanylidene-6-phenylsulfanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 4-methyl-2-oxo-6-phenylsulfanyl-cyclohexanecarboxylate CAS Name: 4-methyl-2-oxo-6-(phenylthio)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-oxo-6-phenylsulfanylcyclohexane-1-carboxylate Traditional Name: 2-keto-4-methyl-6-(phenylthio)cyclohexanecarboxylic acid ethyl ester Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(CC1=O)C)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1C(CC(CC1=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C16H20O3S/c1-3-19-16(18)15-13(17)9-11(2)10-14(15)20-12-7-5-4-6-8-12/h4-8,11,14-15H,3,9-10H2,1-2H3