1,3-benzodioxol-5-ylmethyl 2-(methylsulfanylcarbothioylamino)ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-(methylsulfanylcarbothioylamino)ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-(methylsulfanylcarbothioylamino)acetate CAS Name: 2-[[(methylthio)-sulfanylidenemethyl]amino]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-(methylsulfanylcarbothioylamino)acetate Traditional Name: 2-[(methylthio)carbothioylamino]acetic acid piperonyl ester Formula: C12H13NO4S2 MolecularWeight: 299.36592

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)NCC(=O)OCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CSC(=S)NCC(=O)OCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H13NO4S2/c1-19-12(18)13-5-11(14)15-6-8-2-3-9-10(4-8)17-7-16-9/h2-4H,5-7H2,1H3,(H,13,18)