methyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-(2,1,3-benzothiadiazole-5-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(2,1,3-benzothiadiazole-5-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(piazthiole-5-carbonylamino)thiophene-2-carboxylic acid methyl ester Formula: C15H10N4O3S2 MolecularWeight: 358.3949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=NSN=C3C=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=NSN=C3C=C2)C(=O)OC

InChI

InChI=1S/C15H10N4O3S2/c1-7-9(6-16)14(23-12(7)15(21)22-2)17-13(20)8-3-4-10-11(5-8)19-24-18-10/h3-5H,1-2H3,(H,17,20)