[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1,5-dimethylpyrazole-4-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1,5-dimethylpyrazole-4-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 1,5-dimethylpyrazole-4-carboxylate CAS Name: 1,5-dimethyl-4-pyrazolecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate Traditional Name: 1,5-dimethylpyrazole-4-carboxylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CC1=C(C=NN1C)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C14H13N5O3S/c1-8-9(6-15-19(8)2)14(21)22-7-12(20)16-10-4-3-5-11-13(10)18-23-17-11/h3-6H,7H2,1-2H3,(H,16,20)