ethyl 1-(6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[6-fluoro-2-(2-thienyl)quinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[(6-fluoro-2-thiophen-2-yl-4-quinolinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-fluoro-2-thiophen-2-ylquinoline-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-[6-fluoro-2-(2-thienyl)quinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H21FN2O3S/c1-2-28-22(27)14-5-3-9-25(13-14)21(26)17-12-19(20-6-4-10-29-20)24-18-8-7-15(23)11-16(17)18/h4,6-8,10-12,14H,2-3,5,9,13H2,1H3