1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl ester IUPAC Name: 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl ester Formula: C20H25ClN4O6S MolecularWeight: 484.9537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C(C)(C)C)OC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=NC(=NO1)C(C)(C)C)OC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H25ClN4O6S/c1-11(17-23-19(24-31-17)20(2,3)4)30-18(27)15(8-9-32-5)22-16(26)13-7-6-12(25(28)29)10-14(13)21/h6-7,10-11,15H,8-9H2,1-5H3,(H,22,26)