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

Systemtic Name: ethyl 4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-4-carboxylate CAS Name: 4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Traditional Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]isonipecotic acid ethyl ester Formula: C27H33FN2O3S2 MolecularWeight: 516.690923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCSC2=CC=CS2)CCCC3=C4C=C(C=CC4=NC=C3F)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCSC2=CC=CS2)CCCC3=C4C=C(C=CC4=NC=C3F)OC

InChI

InChI=1S/C27H33FN2O3S2/c1-3-33-26(31)27(11-13-30(14-12-27)15-17-35-25-7-5-16-34-25)10-4-6-21-22-18-20(32-2)8-9-24(22)29-19-23(21)28/h5,7-9,16,18-19H,3-4,6,10-15,17H2,1-2H3