(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (2S)-2-benzamidopropanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (2S)-2-benzamidopropanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O3S/c1-13(23-20(25)14-6-4-3-5-7-14)21(26)27-12-16-10-15-8-9-17(28-2)11-18(15)24-19(16)22/h3-11,13H,12H2,1-2H3,(H,23,25)/t13-/m0/s1