diethyl 5-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(benzofuran-2-carbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1-benzofuran-2-carbonylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(benzofuran-2-carbonylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H20N2O6S2/c1-4-27-19(25)15-11(3)16(20(26)28-5-2)31-18(15)23-21(30)22-17(24)14-10-12-8-6-7-9-13(12)29-14/h6-10H,4-5H2,1-3H3,(H2,22,23,24,30)