diethyl 2-(1,2,3-benzothiadiazol-7-ylcarbonyl)propanedioate

Systemtic Name: diethyl 2-(1,2,3-benzothiadiazol-7-ylcarbonyl)propanedioate Openeye Name: diethyl 2-(1,2,3-benzothiadiazole-7-carbonyl)propanedioate CAS Name: 2-[1,2,3-benzothiadiazol-7-yl(oxo)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1,2,3-benzothiadiazole-7-carbonyl)propanedioate Traditional Name: 2-(1,2,3-benzothiadiazole-7-carbonyl)malonic acid diethyl ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=C2C(=CC=C1)N=NS2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=C2C(=CC=C1)N=NS2)C(=O)OCC

InChI

InChI=1S/C14H14N2O5S/c1-3-20-13(18)10(14(19)21-4-2)11(17)8-6-5-7-9-12(8)22-16-15-9/h5-7,10H,3-4H2,1-2H3