4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-fluoranyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-fluoranyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-fluoro-propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-fluoropropyl]-1-[2-(thiophen-2-ylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-fluoropropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-fluoro-propyl]-1-[2-(2-thienylthio)ethyl]isonipecotic acid Formula: C25H28ClFN2O3S2 MolecularWeight: 523.082823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCSC4=CC=CS4)C(=O)O)F

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)C(CCC3(CCN(CC3)CCSC4=CC=CS4)C(=O)O)F

InChI

InChI=1S/C25H28ClFN2O3S2/c1-32-17-4-5-21-18(15-17)23(19(26)16-28-21)20(27)6-7-25(24(30)31)8-10-29(11-9-25)12-14-34-22-3-2-13-33-22/h2-5,13,15-16,20H,6-12,14H2,1H3,(H,30,31)