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

Systemtic Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(piperonylamino)ethyl]thio]propionic acid methyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CCSCC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H17NO5S/c1-18-14(17)4-5-21-8-13(16)15-7-10-2-3-11-12(6-10)20-9-19-11/h2-3,6H,4-5,7-9H2,1H3,(H,15,16)