ethyl 1-[2-[(3-methylsulfanylphenyl)amino]quinolin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(3-methylsulfanylphenyl)amino]quinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3-methylsulfanylanilino)quinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[3-(methylthio)anilino]-4-quinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methylsulfanylanilino)quinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[3-(methylthio)anilino]quinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H27N3O3S/c1-3-31-25(30)17-8-7-13-28(16-17)24(29)21-15-23(27-22-12-5-4-11-20(21)22)26-18-9-6-10-19(14-18)32-2/h4-6,9-12,14-15,17H,3,7-8,13,16H2,1-2H3,(H,26,27)