2-[[3-cyano-6-fluoranyl-2-[4-(4-methylsulfanylphenyl)phenyl]quinolin-4-yl]amino]propanoic acid

Systemtic Name: 2-[[3-cyano-6-fluoranyl-2-[4-(4-methylsulfanylphenyl)phenyl]quinolin-4-yl]amino]propanoic acid Openeye Name: 2-[[3-cyano-6-fluoro-2-[4-(4-methylsulfanylphenyl)phenyl]-4-quinolyl]amino]propanoic acid CAS Name: 2-[[3-cyano-6-fluoro-2-[4-[4-(methylthio)phenyl]phenyl]-4-quinolinyl]amino]propanoic acid IUPAC Name: 2-[[3-cyano-6-fluoro-2-[4-(4-methylsulfanylphenyl)phenyl]quinolin-4-yl]amino]propanoic acid Traditional Name: 2-[[3-cyano-6-fluoro-2-[4-[4-(methylthio)phenyl]phenyl]-4-quinolyl]amino]propionic acid Formula: C26H20FN3O2S MolecularWeight: 457.519303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C(=NC2=C1C=C(C=C2)F)C3=CC=C(C=C3)C4=CC=C(C=C4)SC)C#N

Isomeric SMILES

CC(C(=O)O)NC1=C(C(=NC2=C1C=C(C=C2)F)C3=CC=C(C=C3)C4=CC=C(C=C4)SC)C#N

InChI

InChI=1S/C26H20FN3O2S/c1-15(26(31)32)29-25-21-13-19(27)9-12-23(21)30-24(22(25)14-28)18-5-3-16(4-6-18)17-7-10-20(33-2)11-8-17/h3-13,15H,1-2H3,(H,29,30)(H,31,32)