5-(3-fluoranyl-6-methoxy-quinolin-4-yl)-2-[(2-thiophen-2-ylsulfanylethylamino)methyl]pentanoic acid

Systemtic Name: 5-(3-fluoranyl-6-methoxy-quinolin-4-yl)-2-[(2-thiophen-2-ylsulfanylethylamino)methyl]pentanoic acid Openeye Name: 5-(3-fluoro-6-methoxy-4-quinolyl)-2-[[2-(2-thienylsulfanyl)ethylamino]methyl]pentanoic acid CAS Name: 5-(3-fluoro-6-methoxy-4-quinolinyl)-2-[[2-(thiophen-2-ylthio)ethylamino]methyl]pentanoic acid IUPAC Name: 5-(3-fluoro-6-methoxyquinolin-4-yl)-2-[(2-thiophen-2-ylsulfanylethylamino)methyl]pentanoic acid Traditional Name: 5-(3-fluoro-6-methoxy-4-quinolyl)-2-[[2-(2-thienylthio)ethylamino]methyl]valeric acid Formula: C22H25FN2O3S2 MolecularWeight: 448.573903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC(CNCCSC3=CC=CS3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC(CNCCSC3=CC=CS3)C(=O)O

InChI

InChI=1S/C22H25FN2O3S2/c1-28-16-7-8-20-18(12-16)17(19(23)14-25-20)5-2-4-15(22(26)27)13-24-9-11-30-21-6-3-10-29-21/h3,6-8,10,12,14-15,24H,2,4-5,9,11,13H2,1H3,(H,26,27)