methyl 2-(2-oxidanylidene-4-phenylsulfanyl-cyclohexyl)ethanoate

Systemtic Name: methyl 2-(2-oxidanylidene-4-phenylsulfanyl-cyclohexyl)ethanoate Openeye Name: methyl 2-(2-oxo-4-phenylsulfanyl-cyclohexyl)acetate CAS Name: 2-[2-oxo-4-(phenylthio)cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-oxo-4-phenylsulfanylcyclohexyl)acetate Traditional Name: 2-[2-keto-4-(phenylthio)cyclohexyl]acetic acid methyl ester Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCC(CC1=O)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1CCC(CC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C15H18O3S/c1-18-15(17)9-11-7-8-13(10-14(11)16)19-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3