2-[4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-2-methyl-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]ethanoate

Systemtic Name: 2-[4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-2-methyl-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]ethanoate Openeye Name: 2-[4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-2-methyl-1-[2-(2-thienylsulfanyl)ethyl]-3-piperidyl]acetate CAS Name: 2-[4-[3-(3-fluoro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-2-methyl-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinyl]acetate IUPAC Name: 2-[4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-2-methyl-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]acetate Traditional Name: 2-[4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-2-methyl-1-[2-(2-thienylthio)ethyl]-3-piperidyl]acetate Formula: C27H32FN2O4S2- MolecularWeight: 531.682383

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CCN1CCSC2=CC=CS2)CCC(C3=C4C=C(C=CC4=NC=C3F)OC)O)CC(=O)[O-]

Isomeric SMILES

CC1C(C(CCN1CCSC2=CC=CS2)CCC(C3=C4C=C(C=CC4=NC=C3F)OC)O)CC(=O)[O-]

InChI

InChI=1S/C27H33FN2O4S2/c1-17-20(15-25(32)33)18(9-10-30(17)11-13-36-26-4-3-12-35-26)5-8-24(31)27-21-14-19(34-2)6-7-23(21)29-16-22(27)28/h3-4,6-7,12,14,16-18,20,24,31H,5,8-11,13,15H2,1-2H3,(H,32,33)/p-1