4-[3-(3-chloranyl-6,7-dimethoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-(3-chloranyl-6,7-dimethoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6,7-dimethoxy-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6,7-dimethoxy-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6,7-dimethoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6,7-dimethoxy-4-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]isonipecotic acid Formula: C26H31ClN2O4S2 MolecularWeight: 535.11834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)Cl)CCCC3(CCN(CC3)CCSC4=CC=CS4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)Cl)CCCC3(CCN(CC3)CCSC4=CC=CS4)C(=O)O)OC

InChI

InChI=1S/C26H31ClN2O4S2/c1-32-22-15-19-18(20(27)17-28-21(19)16-23(22)33-2)5-3-7-26(25(30)31)8-10-29(11-9-26)12-14-35-24-6-4-13-34-24/h4,6,13,15-17H,3,5,7-12,14H2,1-2H3,(H,30,31)