methyl (2S)-2-[(7-fluoranyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(7-fluoranyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[7-fluoro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[7-fluoro-2-(2-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(7-fluoro-2-pyridin-2-ylquinoline-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[7-fluoro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=NC2=C1C=CC(=C2)F)C3=CC=CC=N3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=NC2=C1C=CC(=C2)F)C3=CC=CC=N3

InChI

InChI=1S/C21H20FN3O3S/c1-28-21(27)17(8-10-29-2)25-20(26)15-12-19(16-5-3-4-9-23-16)24-18-11-13(22)6-7-14(15)18/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,25,26)/t17-/m0/s1