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

Systemtic Name: 2-[4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]ethanoate Openeye Name: 2-[4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-oxo-propyl]-1-[2-(2-thienylsulfanyl)ethyl]-3-piperidyl]acetate CAS Name: 2-[4-[3-(3-fluoro-6-methoxy-4-quinolinyl)-3-oxopropyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinyl]acetate IUPAC Name: 2-[4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-oxopropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]acetate Traditional Name: 2-[4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-keto-propyl]-1-[2-(2-thienylthio)ethyl]-3-piperidyl]acetate Formula: C26H28FN2O4S2- MolecularWeight: 515.639923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(=O)CCC3CCN(CC3CC(=O)[O-])CCSC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(=O)CCC3CCN(CC3CC(=O)[O-])CCSC4=CC=CS4

InChI

InChI=1S/C26H29FN2O4S2/c1-33-19-5-6-22-20(14-19)26(21(27)15-28-22)23(30)7-4-17-8-9-29(16-18(17)13-24(31)32)10-12-35-25-3-2-11-34-25/h2-3,5-6,11,14-15,17-18H,4,7-10,12-13,16H2,1H3,(H,31,32)/p-1