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

Systemtic Name: ethyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(piazthiole-5-carbonylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C17H13N5O3S3 MolecularWeight: 431.51182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O3S3/c1-3-25-16(24)13-8(2)10(7-18)15(27-13)20-17(26)19-14(23)9-4-5-11-12(6-9)22-28-21-11/h4-6H,3H2,1-2H3,(H2,19,20,23,26)