(2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2,4-dichlorobenzoyl)amino]-4-(methylthio)butyric acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C23H21Cl3N2O3S MolecularWeight: 511.84844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C(CCSC)NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C(CCSC)NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C23H21Cl3N2O3S/c1-13-3-4-14-10-15(21(26)27-20(14)9-13)12-31-23(30)19(7-8-32-2)28-22(29)17-6-5-16(24)11-18(17)25/h3-6,9-11,19H,7-8,12H2,1-2H3,(H,28,29)