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

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate Openeye Name: 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-piperidinecarboxylate IUPAC Name: 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]nipecotate Formula: C25H28ClN2O4S2- MolecularWeight: 520.08382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/p-1