(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanoate CAS Name: 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Traditional Name: 3-[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H14N4O7S MolecularWeight: 418.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN(C(=O)O2)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NN(C(=O)O2)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O7S/c18-15(23)10-3-4-11(12(8-10)21(25)26)9-27-14(22)5-6-20-17(24)28-16(19-20)13-2-1-7-29-13/h1-4,7-8H,5-6,9H2,(H2,18,23)