1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OC(C)C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N4O6S/c1-11(2)16(21-17(25)15-5-4-10-31-15)20(26)29-12(3)18-22-23-19(30-18)13-6-8-14(9-7-13)24(27)28/h4-12,16H,1-3H3,(H,21,25)