3-(3-chloranyl-6,7-dimethoxy-quinolin-4-yl)propyl 1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate

Systemtic Name: 3-(3-chloranyl-6,7-dimethoxy-quinolin-4-yl)propyl 1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Openeye Name: 3-(3-chloro-6,7-dimethoxy-4-quinolyl)propyl 1-[2-(2-thienylsulfanyl)ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(thiophen-2-ylthio)ethyl]-4-piperidinecarboxylic acid 3-(3-chloro-6,7-dimethoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(3-chloro-6,7-dimethoxyquinolin-4-yl)propyl 1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Traditional Name: 1-[2-(2-thienylthio)ethyl]isonipecotic acid 3-(3-chloro-6,7-dimethoxy-4-quinolyl)propyl ester 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)CCCOC(=O)C3CCN(CC3)CCSC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)Cl)CCCOC(=O)C3CCN(CC3)CCSC4=CC=CS4)OC

InChI

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