2,2-diethyl-4-[[3-[(6-fluoranylquinolin-2-yl)methylsulfanyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-diethyl-4-[[3-[(6-fluoranylquinolin-2-yl)methylsulfanyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-[3-[(6-fluoro-2-quinolyl)methylsulfanyl]anilino]-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-[3-[(6-fluoro-2-quinolinyl)methylthio]anilino]-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-[3-[(6-fluoroquinolin-2-yl)methylsulfanyl]anilino]-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-[3-[(6-fluoro-2-quinolyl)methylthio]anilino]-4-keto-butyric acid Formula: C24H25FN2O3S MolecularWeight: 440.530303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC(=CC=C1)SCC2=NC3=C(C=C2)C=C(C=C3)F)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC(=CC=C1)SCC2=NC3=C(C=C2)C=C(C=C3)F)C(=O)O

InChI

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