ethyl (3S)-1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[2-(phenylthio)anilino]ethyl]nipecotic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-2-27-22(26)17-9-8-14-24(15-17)16-21(25)23-19-12-6-7-13-20(19)28-18-10-4-3-5-11-18/h3-7,10-13,17H,2,8-9,14-16H2,1H3,(H,23,25)/t17-/m0/s1