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

Systemtic Name: diethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(1,3-benzodioxol-5-ylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20N2O6S2/c1-4-24-17(22)14-10(3)15(18(23)25-5-2)29-16(14)21-19(28)20-11-6-7-12-13(8-11)27-9-26-12/h6-8H,4-5,9H2,1-3H3,(H2,20,21,28)