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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(2-pyridin-2-ylquinolin-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-(2-pyridyl)quinoline-4-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[2-(2-pyridinyl)-4-quinolinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-(2-pyridyl)quinoline-4-carbonyl]amino]butyric acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=N3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=N3

InChI

InChI=1S/C21H21N3O3S/c1-27-21(26)18(10-12-28-2)24-20(25)15-13-19(17-9-5-6-11-22-17)23-16-8-4-3-7-14(15)16/h3-9,11,13,18H,10,12H2,1-2H3,(H,24,25)/t18-/m0/s1