(2-chloranylquinolin-3-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-chloro-3-quinolyl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid (2-chloro-3-quinolyl)methyl ester Formula: C22H20Cl2N2O3S MolecularWeight: 463.3768

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)OCC1=CC2=CC=CC=C2N=C1Cl)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H20Cl2N2O3S/c1-30-11-10-19(26-21(27)16-7-3-4-8-17(16)23)22(28)29-13-15-12-14-6-2-5-9-18(14)25-20(15)24/h2-9,12,19H,10-11,13H2,1H3,(H,26,27)