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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-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 (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H19ClN4O6S MolecularWeight: 490.91676

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=NN=C(O1)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSCCC(C(=O)OCC1=NN=C(O1)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19ClN4O6S/c1-33-10-9-17(23-19(27)15-8-7-14(26(29)30)11-16(15)22)21(28)31-12-18-24-25-20(32-18)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3,(H,23,27)