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

Systemtic Name: 2-[4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]ethanoate Openeye Name: 2-[4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]-3-piperidyl]acetate CAS Name: 2-[4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinyl]acetate IUPAC Name: 2-[4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]acetate Traditional Name: 2-[4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]-3-piperidyl]acetate Formula: C26H30FN2O3S2- MolecularWeight: 501.656403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3CC(=O)[O-])CCSC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3CC(=O)[O-])CCSC4=CC=CS4

InChI

InChI=1S/C26H31FN2O3S2/c1-32-20-7-8-24-22(15-20)21(23(27)16-28-24)5-2-4-18-9-10-29(17-19(18)14-25(30)31)11-13-34-26-6-3-12-33-26/h3,6-8,12,15-16,18-19H,2,4-5,9-11,13-14,17H2,1H3,(H,30,31)/p-1