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

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C13H10N6O3S MolecularWeight: 330.3219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)C3=NC=CN=C3N

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C13H10N6O3S/c14-12-11(15-4-5-16-12)13(21)22-6-9(20)17-7-2-1-3-8-10(7)19-23-18-8/h1-5H,6H2,(H2,14,16)(H,17,20)