(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(4-acetamidophenyl)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(4-acetamidophenyl)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(4-acetamidophenyl)acetate CAS Name: 2-(4-acetamidophenyl)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(4-acetamidophenyl)acetate Traditional Name: 2-(4-acetamidophenyl)acetic 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(=O)NC1=CC=C(C=C1)CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

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