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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(C3C(=O)O)CCSC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(C3C(=O)O)CCSC4=CC=CS4

InChI

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