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

Systemtic Name: [3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl] 2-[1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]ethanoate Openeye Name: [3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propyl] 2-[1-[2-(2-thienylsulfanyl)ethyl]-3-piperidyl]acetate CAS Name: 2-[1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinyl]acetic acid [3-(3-fluoro-6-methoxy-4-quinolinyl)-3-hydroxypropyl] ester IUPAC Name: [3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl] 2-[1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]acetate Traditional Name: 2-[1-[2-(2-thienylthio)ethyl]-3-piperidyl]acetic acid [3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propyl] ester Formula: C26H31FN2O4S2 MolecularWeight: 518.663743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCOC(=O)CC3CCCN(C3)CCSC4=CC=CS4)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCOC(=O)CC3CCCN(C3)CCSC4=CC=CS4)O

InChI

InChI=1S/C26H31FN2O4S2/c1-32-19-6-7-22-20(15-19)26(21(27)16-28-22)23(30)8-11-33-24(31)14-18-4-2-9-29(17-18)10-13-35-25-5-3-12-34-25/h3,5-7,12,15-16,18,23,30H,2,4,8-11,13-14,17H2,1H3