tert-butyl 4-(4-methylsulfanylphenyl)-4-(2-oxidanylideneethyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-methylsulfanylphenyl)-4-(2-oxidanylideneethyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-methylsulfanylphenyl)-4-(2-oxoethyl)piperidine-1-carboxylate CAS Name: 4-[4-(methylthio)phenyl]-4-(2-oxoethyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methylsulfanylphenyl)-4-(2-oxoethyl)piperidine-1-carboxylate Traditional Name: 4-(2-ketoethyl)-4-[4-(methylthio)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CC=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C19H27NO3S/c1-18(2,3)23-17(22)20-12-9-19(10-13-20,11-14-21)15-5-7-16(24-4)8-6-15/h5-8,14H,9-13H2,1-4H3