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

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C16H17ClN4O6S MolecularWeight: 428.84738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)COC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NOC(=N1)COC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O6S/c1-9-18-14(27-20-9)8-26-16(23)13(5-6-28-2)19-15(22)11-4-3-10(21(24)25)7-12(11)17/h3-4,7,13H,5-6,8H2,1-2H3,(H,19,22)