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

Systemtic Name: 3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl 1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Openeye Name: 3-(3-chloro-6-methoxy-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-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(3-chloro-6-methoxyquinolin-4-yl)propyl 1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Traditional Name: 1-[2-(2-thienylthio)ethyl]isonipecotic acid 3-(3-chloro-6-methoxy-4-quinolyl)propyl ester Formula: C25H29ClN2O3S2 MolecularWeight: 505.09236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCOC(=O)C3CCN(CC3)CCSC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCOC(=O)C3CCN(CC3)CCSC4=CC=CS4

InChI

InChI=1S/C25H29ClN2O3S2/c1-30-19-6-7-23-21(16-19)20(22(26)17-27-23)4-2-13-31-25(29)18-8-10-28(11-9-18)12-15-33-24-5-3-14-32-24/h3,5-7,14,16-18H,2,4,8-13,15H2,1H3