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

Systemtic Name: ethyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=NSN=C3C=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=NSN=C3C=C2)C#N)C

InChI

InChI=1S/C16H12N4O3S2/c1-3-23-16(22)13-8(2)10(7-17)15(24-13)18-14(21)9-4-5-11-12(6-9)20-25-19-11/h4-6H,3H2,1-2H3,(H,18,21)