methyl (2S)-2-[[2-(4-fluorophenyl)quinolin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-(4-fluorophenyl)quinolin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(4-fluorophenyl)-4-quinolinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O3S/c1-28-22(27)19(11-12-29-2)25-21(26)17-13-20(14-7-9-15(23)10-8-14)24-18-6-4-3-5-16(17)18/h3-10,13,19H,11-12H2,1-2H3,(H,25,26)/t19-/m0/s1