methyl 4-oxidanylidene-3-phenylsulfanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-phenylsulfanyl-cyclohexane-1-carboxylate Openeye Name: methyl 4-oxo-3-phenylsulfanyl-cyclohexanecarboxylate CAS Name: 4-oxo-3-(phenylthio)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-phenylsulfanylcyclohexane-1-carboxylate Traditional Name: 4-keto-3-(phenylthio)cyclohexanecarboxylic acid methyl ester Formula: C14H16O3S MolecularWeight: 264.34004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)C(C1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CCC(=O)C(C1)SC2=CC=CC=C2

InChI

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