methyl 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CCSCC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H14O5S/c1-16-13(15)4-5-19-7-10(14)9-2-3-11-12(6-9)18-8-17-11/h2-3,6H,4-5,7-8H2,1H3