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

Systemtic Name: O4-ethyl O2-methyl 5-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]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-carbonylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piazthiole-5-carbonylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C18H16N4O5S3 MolecularWeight: 464.53844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5S3/c1-4-27-16(24)12-8(2)13(17(25)26-3)29-15(12)20-18(28)19-14(23)9-5-6-10-11(7-9)22-30-21-10/h5-7H,4H2,1-3H3,(H2,19,20,23,28)