methyl 2-oxidanylidene-3-phenylsulfanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 2-oxidanylidene-3-phenylsulfanyl-cyclohexane-1-carboxylate Openeye Name: methyl 2-oxo-3-phenylsulfanyl-cyclohexanecarboxylate CAS Name: 2-oxo-3-(phenylthio)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-oxo-3-phenylsulfanylcyclohexane-1-carboxylate Traditional Name: 2-keto-3-(phenylthio)cyclohexanecarboxylic acid methyl ester Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC(C1=O)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CCCC(C1=O)SC2=CC=CC=C2

InChI

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