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

Systemtic Name: dimethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piperonylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C18H18N2O6S2/c1-9-13(16(21)23-2)15(28-14(9)17(22)24-3)20-18(27)19-7-10-4-5-11-12(6-10)26-8-25-11/h4-6H,7-8H2,1-3H3,(H2,19,20,27)