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

Systemtic Name: methyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H11N5O3S3 MolecularWeight: 417.48524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N5O3S3/c1-7-9(6-17)14(26-12(7)15(23)24-2)19-16(25)18-13(22)8-3-4-10-11(5-8)21-27-20-10/h3-5H,1-2H3,(H2,18,19,22,25)