dimethyl 5-(1,2,3-benzothiadiazol-5-ylcarbamoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(1,2,3-benzothiadiazol-5-ylcarbamoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(1,2,3-benzothiadiazol-5-ylcarbamoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1,2,3-benzothiadiazol-5-ylamino)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1,2,3-benzothiadiazol-5-ylcarbamoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(1,2,3-benzothiadiazol-5-ylcarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)SN=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)SN=N3)C(=O)OC

InChI

InChI=1S/C17H14N4O5S/c1-25-15(22)9-5-10(16(23)26-2)7-12(6-9)19-17(24)18-11-3-4-14-13(8-11)20-21-27-14/h3-8H,1-2H3,(H2,18,19,24)