[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-tert-butoxy-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-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C18H23ClN2O7S MolecularWeight: 446.90242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O7S/c1-18(2,3)28-15(22)10-27-17(24)14(7-8-29-4)20-16(23)12-6-5-11(21(25)26)9-13(12)19/h5-6,9,14H,7-8,10H2,1-4H3,(H,20,23)