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

Systemtic Name: ethyl 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[3-(methylthio)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-2-[3-(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=C2)SC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC(=CC=C2)SC

InChI

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