diethyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(2,1,3-benzothiadiazole-5-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2,1,3-benzothiadiazole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piazthiole-5-carbonylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C18H17N3O5S2/c1-4-25-17(23)13-9(3)14(18(24)26-5-2)27-16(13)19-15(22)10-6-7-11-12(8-10)21-28-20-11/h6-8H,4-5H2,1-3H3,(H,19,22)