(4-nitrophenyl)methyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-nitrophenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2,4-dichlorobenzoyl)amino]-4-(methylthio)butyric acid (4-nitrobenzyl) ester Formula: C19H18Cl2N2O5S MolecularWeight: 457.32762

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O5S/c1-29-9-8-17(22-18(24)15-7-4-13(20)10-16(15)21)19(25)28-11-12-2-5-14(6-3-12)23(26)27/h2-7,10,17H,8-9,11H2,1H3,(H,22,24)