(4-nitrophenyl)methyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Openeye Name: (4-nitrophenyl)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-nitrophenyl)methyl ester IUPAC Name: (4-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-nitrobenzyl) ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O6S/c20-14(24-10-11-3-5-12(6-4-11)19(22)23)7-8-18-16(21)25-15(17-18)13-2-1-9-26-13/h1-6,9H,7-8,10H2