(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate CAS Name: 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate Traditional Name: 3-(3,6-diketo-1H-pyridazin-2-yl)propionic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C14H12N4O5S MolecularWeight: 348.33388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(NC1=O)CCC(=O)OCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C1=CC(=O)N(NC1=O)CCC(=O)OCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C14H12N4O5S/c19-10-1-2-12(20)18(16-10)5-3-13(21)22-7-11-15-14(17-23-11)9-4-6-24-8-9/h1-2,4,6,8H,3,5,7H2,(H,16,19)