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

Systemtic Name: diethyl 5-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piperonyloylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H20N2O7S2 MolecularWeight: 464.512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H20N2O7S2/c1-4-26-18(24)14-10(3)15(19(25)27-5-2)31-17(14)22-20(30)21-16(23)11-6-7-12-13(8-11)29-9-28-12/h6-8H,4-5,9H2,1-3H3,(H2,21,22,23,30)