methyl (2S)-4-methylsulfanyl-2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]butyric acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H20N2O3S2/c1-25-20(24)16(9-11-26-2)22-19(23)14-12-17(18-8-5-10-27-18)21-15-7-4-3-6-13(14)15/h3-8,10,12,16H,9,11H2,1-2H3,(H,22,23)/t16-/m0/s1