3-(3-fluoranylquinolin-4-yl)propyl 1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate

Systemtic Name: 3-(3-fluoranylquinolin-4-yl)propyl 1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Openeye Name: 3-(3-fluoro-4-quinolyl)propyl 1-[2-(2-thienylsulfanyl)ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(thiophen-2-ylthio)ethyl]-4-piperidinecarboxylic acid 3-(3-fluoro-4-quinolinyl)propyl ester IUPAC Name: 3-(3-fluoroquinolin-4-yl)propyl 1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Traditional Name: 1-[2-(2-thienylthio)ethyl]isonipecotic acid 3-(3-fluoro-4-quinolyl)propyl ester Formula: C24H27FN2O2S2 MolecularWeight: 458.611783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC2=C(C=NC3=CC=CC=C32)F)CCSC4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC2=C(C=NC3=CC=CC=C32)F)CCSC4=CC=CS4

InChI

InChI=1S/C24H27FN2O2S2/c25-21-17-26-22-7-2-1-5-20(22)19(21)6-3-14-29-24(28)18-9-11-27(12-10-18)13-16-31-23-8-4-15-30-23/h1-2,4-5,7-8,15,17-18H,3,6,9-14,16H2