(3-chloranyl-4-methyl-quinolin-2-yl)methyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C(C(C)C)NC(=O)C3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-12(2)19(24-20(25)17-9-6-10-28-17)21(26)27-11-16-18(22)13(3)14-7-4-5-8-15(14)23-16/h4-10,12,19H,11H2,1-3H3,(H,24,25)/t19-/m0/s1