2,2-diethyl-4-[[3-[(8-fluoranylquinolin-2-yl)methylsulfanyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-diethyl-4-[[3-[(8-fluoranylquinolin-2-yl)methylsulfanyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-[3-[(8-fluoro-2-quinolyl)methylsulfanyl]anilino]-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-[3-[(8-fluoro-2-quinolinyl)methylthio]anilino]-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-[3-[(8-fluoroquinolin-2-yl)methylsulfanyl]anilino]-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-[3-[(8-fluoro-2-quinolyl)methylthio]anilino]-4-keto-butyric acid Formula: C24H25FN2O3S MolecularWeight: 440.530303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC(=CC=C1)SCC2=NC3=C(C=CC=C3F)C=C2)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC(=CC=C1)SCC2=NC3=C(C=CC=C3F)C=C2)C(=O)O

InChI

InChI=1S/C24H25FN2O3S/c1-3-24(4-2,23(29)30)14-21(28)26-17-8-6-9-19(13-17)31-15-18-12-11-16-7-5-10-20(25)22(16)27-18/h5-13H,3-4,14-15H2,1-2H3,(H,26,28)(H,29,30)