methyl 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[3-(methylthio)anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[3-(methylthio)anilino]ethyl]isonipecotic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C16H22N2O3S/c1-21-16(20)12-6-8-18(9-7-12)11-15(19)17-13-4-3-5-14(10-13)22-2/h3-5,10,12H,6-9,11H2,1-2H3,(H,17,19)