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

Systemtic Name: [3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl] 2-[1-(2-cyclopropylsulfanylethyl)piperidin-3-yl]ethanoate Openeye Name: [3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propyl] 2-[1-(2-cyclopropylsulfanylethyl)-3-piperidyl]acetate CAS Name: 2-[1-[2-(cyclopropylthio)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-cyclopropylsulfanylethyl)piperidin-3-yl]acetate Traditional Name: 2-[1-[2-(cyclopropylthio)ethyl]-3-piperidyl]acetic acid [3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propyl] ester Formula: C25H33FN2O4S MolecularWeight: 476.603923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCOC(=O)CC3CCCN(C3)CCSC4CC4)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(CCOC(=O)CC3CCCN(C3)CCSC4CC4)O

InChI

InChI=1S/C25H33FN2O4S/c1-31-18-4-7-22-20(14-18)25(21(26)15-27-22)23(29)8-11-32-24(30)13-17-3-2-9-28(16-17)10-12-33-19-5-6-19/h4,7,14-15,17,19,23,29H,2-3,5-6,8-13,16H2,1H3