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

Systemtic Name: ethyl (3S)-1-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[2-(methylthio)anilino]ethyl]nipecotic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C17H24N2O3S/c1-3-22-17(21)13-7-6-10-19(11-13)12-16(20)18-14-8-4-5-9-15(14)23-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,18,20)/t13-/m0/s1