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

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxylate CAS Name: 1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[2-(phenylthio)anilino]ethyl]isonipecotic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-26-21(25)16-11-13-23(14-12-16)15-20(24)22-18-9-5-6-10-19(18)27-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,22,24)