[3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl] 1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate

Systemtic Name: [3-fluoranyl-3-(6-methoxyquinolin-4-yl)propyl] 1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate Openeye Name: [3-fluoro-3-(6-methoxy-4-quinolyl)propyl] 1-[2-(2-thienylsulfanyl)ethyl]piperidine-3-carboxylate CAS Name: 1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinecarboxylic acid [3-fluoro-3-(6-methoxy-4-quinolinyl)propyl] ester IUPAC Name: [3-fluoro-3-(6-methoxyquinolin-4-yl)propyl] 1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(2-thienylthio)ethyl]nipecotic acid [3-fluoro-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C25H29FN2O3S2 MolecularWeight: 488.637763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCSC4=CC=CS4)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CCSC4=CC=CS4)F

InChI

InChI=1S/C25H29FN2O3S2/c1-30-19-6-7-23-21(16-19)20(8-10-27-23)22(26)9-13-31-25(29)18-4-2-11-28(17-18)12-15-33-24-5-3-14-32-24/h3,5-8,10,14,16,18,22H,2,4,9,11-13,15,17H2,1H3