1,2,3-benzothiadiazole-7-carboxylic acid; methyl 1,2,3-benzothiadiazole-7-carboxylate

Systemtic Name: 1,2,3-benzothiadiazole-7-carboxylic acid; methyl 1,2,3-benzothiadiazole-7-carboxylate Openeye Name: 1,2,3-benzothiadiazole-7-carboxylic acid; methyl 1,2,3-benzothiadiazole-7-carboxylate CAS Name: 1,2,3-benzothiadiazole-7-carboxylic acid; 1,2,3-benzothiadiazole-7-carboxylic acid methyl ester IUPAC Name: 1,2,3-benzothiadiazole-7-carboxylic acid; methyl 1,2,3-benzothiadiazole-7-carboxylate Traditional Name: 1,2,3-benzothiadiazole-7-carboxylic acid; 1,2,3-benzothiadiazole-7-carboxylic acid methyl ester Formula: C15H10N4O4S2 MolecularWeight: 374.3943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N=NS2.C1=CC(=C2C(=C1)N=NS2)C(=O)O

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=NS2.C1=CC(=C2C(=C1)N=NS2)C(=O)O

InChI

InChI=1S/C8H6N2O2S.C7H4N2O2S/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6;10-7(11)4-2-1-3-5-6(4)12-9-8-5/h2-4H,1H3;1-3H,(H,10,11)