4-[[2-(3-fluoranyl-6-methoxy-quinolin-4-yl)-2-oxidanyl-ethyl]amino]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[[2-(3-fluoranyl-6-methoxy-quinolin-4-yl)-2-oxidanyl-ethyl]amino]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[[2-(3-fluoro-6-methoxy-4-quinolyl)-2-hydroxy-ethyl]amino]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-[[2-(3-fluoro-6-methoxy-4-quinolinyl)-2-hydroxyethyl]amino]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[[2-(3-fluoro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]amino]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[[2-(3-fluoro-6-methoxy-4-quinolyl)-2-hydroxy-ethyl]amino]-1-[2-(2-thienylthio)ethyl]nipecotic acid Formula: C24H28FN3O4S2 MolecularWeight: 505.625223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(CNC3CCN(CC3C(=O)O)CCSC4=CC=CS4)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(CNC3CCN(CC3C(=O)O)CCSC4=CC=CS4)O

InChI

InChI=1S/C24H28FN3O4S2/c1-32-15-4-5-19-16(11-15)23(18(25)12-26-19)21(29)13-27-20-6-7-28(14-17(20)24(30)31)8-10-34-22-3-2-9-33-22/h2-5,9,11-12,17,20-21,27,29H,6-8,10,13-14H2,1H3,(H,30,31)