methyl (2R)-2-[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(2-furyl)quinoline-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[2-(2-furanyl)-4-quinolinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(2-furyl)quinoline-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3

Isomeric SMILES

COC(=O)[C@@H](CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3

InChI

InChI=1S/C20H20N2O4S/c1-25-20(24)16(9-11-27-2)22-19(23)14-12-17(18-8-5-10-26-18)21-15-7-4-3-6-13(14)15/h3-8,10,12,16H,9,11H2,1-2H3,(H,22,23)/t16-/m1/s1