methyl 2-[1,3-benzodioxol-5-ylcarbonylcarbamothioyl(methyl)amino]ethanoate

Systemtic Name: methyl 2-[1,3-benzodioxol-5-ylcarbonylcarbamothioyl(methyl)amino]ethanoate Openeye Name: methyl 2-[1,3-benzodioxole-5-carbonylcarbamothioyl(methyl)amino]acetate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[1,3-benzodioxole-5-carbonylcarbamothioyl(methyl)amino]acetate Traditional Name: 2-[methyl(piperonyloylthiocarbamoyl)amino]acetic acid methyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=S)NC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(CC(=O)OC)C(=S)NC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H14N2O5S/c1-15(6-11(16)18-2)13(21)14-12(17)8-3-4-9-10(5-8)20-7-19-9/h3-5H,6-7H2,1-2H3,(H,14,17,21)