methyl 2-oxidanylidene-1-phenylsulfanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 2-oxidanylidene-1-phenylsulfanyl-cyclohexane-1-carboxylate Openeye Name: methyl 2-oxo-1-phenylsulfanyl-cyclohexanecarboxylate CAS Name: 2-oxo-1-(phenylthio)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-oxo-1-phenylsulfanylcyclohexane-1-carboxylate Traditional Name: 2-keto-1-(phenylthio)cyclohexanecarboxylic acid methyl ester Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(CCCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C14H16O3S/c1-17-13(16)14(10-6-5-9-12(14)15)18-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3