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

Systemtic Name: diethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piperonylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O6S2/c1-4-25-18(23)15-11(3)16(19(24)26-5-2)30-17(15)22-20(29)21-9-12-6-7-13-14(8-12)28-10-27-13/h6-8H,4-5,9-10H2,1-3H3,(H2,21,22,29)