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

Systemtic Name: 3-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)pyrrolidine-3-carboxylic acid Openeye Name: 3-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]pyrrolidine-3-carboxylic acid CAS Name: 3-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 3-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)pyrrolidine-3-carboxylic acid Traditional Name: 3-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]pyrrolidine-3-carboxylic acid Formula: C24H27FN2O3S2 MolecularWeight: 474.611183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CCN(C3)CCSC4=CC=CS4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CCN(C3)CCSC4=CC=CS4)C(=O)O

InChI

InChI=1S/C24H27FN2O3S2/c1-30-17-6-7-21-19(14-17)18(20(25)15-26-21)4-2-8-24(23(28)29)9-10-27(16-24)11-13-32-22-5-3-12-31-22/h3,5-7,12,14-15H,2,4,8-11,13,16H2,1H3,(H,28,29)