[2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C16H20ClN3O6S MolecularWeight: 417.8645

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C(=O)COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H20ClN3O6S/c1-19(2)14(21)9-26-16(23)13(6-7-27-3)18-15(22)11-5-4-10(20(24)25)8-12(11)17/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,22)