4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]-1-(2-thiophen-3-ylsulfanylethyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]-1-(2-thiophen-3-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-oxo-propyl]-1-[2-(3-thienylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-[3-(3-fluoro-6-methoxy-4-quinolinyl)-3-oxopropyl]-1-[2-(3-thiophenylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-oxopropyl]-1-(2-thiophen-3-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-keto-propyl]-1-[2-(3-thienylthio)ethyl]nipecotic acid Formula: C25H27FN2O4S2 MolecularWeight: 502.621283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)C(=O)CCC3CCN(CC3C(=O)O)CCSC4=CSC=C4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)C(=O)CCC3CCN(CC3C(=O)O)CCSC4=CSC=C4

InChI

InChI=1S/C25H27FN2O4S2/c1-32-17-3-4-22-19(12-17)24(21(26)13-27-22)23(29)5-2-16-6-8-28(14-20(16)25(30)31)9-11-34-18-7-10-33-15-18/h3-4,7,10,12-13,15-16,20H,2,5-6,8-9,11,14H2,1H3,(H,30,31)