ethyl 1-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(5-chloro-2-thiophenyl)-4-quinolinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H21ClN2O3S/c1-2-28-22(27)14-9-11-25(12-10-14)21(26)16-13-18(19-7-8-20(23)29-19)24-17-6-4-3-5-15(16)17/h3-8,13-14H,2,9-12H2,1H3