ethyl 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[2-keto-1-methyl-2-(piperonylamino)ethyl]thio]acetic acid ethyl ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C)C(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)CSC(C)C(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H19NO5S/c1-3-19-14(17)8-22-10(2)15(18)16-7-11-4-5-12-13(6-11)21-9-20-12/h4-6,10H,3,7-9H2,1-2H3,(H,16,18)