methyl 2-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)ethanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)ethanoate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)acetate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)acetate Traditional Name: 2-(piperonyloylthiocarbamoylamino)acetic acid methyl ester Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)NC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CNC(=S)NC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H12N2O5S/c1-17-10(15)5-13-12(20)14-11(16)7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H2,13,14,16,20)