O4-ethyl O2-methyl 5-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 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 O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piperonyloylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C19H18N2O7S2 MolecularWeight: 450.48542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7S2/c1-4-26-17(23)13-9(2)14(18(24)25-3)30-16(13)21-19(29)20-15(22)10-5-6-11-12(7-10)28-8-27-11/h5-7H,4,8H2,1-3H3,(H2,20,21,22,29)