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

Systemtic Name: methyl 1-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-(methylthio)anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[2-(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=C2SC

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NC2=CC=CC=C2SC

InChI

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