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

Systemtic Name: methyl 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate Openeye Name: methyl 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-3-carboxylate CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-[2-(2-thienylthio)ethyl]nipecotic acid methyl ester Formula: C26H31ClN2O4S2 MolecularWeight: 535.11834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3CCN(CC3C(=O)OC)CCSC4=CC=CS4)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3CCN(CC3C(=O)OC)CCSC4=CC=CS4)O

InChI

InChI=1S/C26H31ClN2O4S2/c1-32-18-6-7-22-19(14-18)25(21(27)15-28-22)23(30)8-5-17-9-10-29(16-20(17)26(31)33-2)11-13-35-24-4-3-12-34-24/h3-4,6-7,12,14-15,17,20,23,30H,5,8-11,13,16H2,1-2H3