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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-(4-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=NC=C3

Isomeric SMILES

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

InChI

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