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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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