O4-ethyl O2-methyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 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 O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 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 O4-ethyl ester O2-methyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S2/c1-4-25-16(22)12-8(2)13(17(23)24-3)26-15(12)18-14(21)9-5-6-10-11(7-9)20-27-19-10/h5-7H,4H2,1-3H3,(H,18,21)