diethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-(methylamino)methylidene]propanedioate

Systemtic Name: diethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-(methylamino)methylidene]propanedioate Openeye Name: diethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-(methylamino)methylene]propanedioate CAS Name: 2-[[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-(methylamino)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-(methylamino)methylidene]propanedioate Traditional Name: 2-[[[2-keto-2-(piperonylamino)ethyl]thio]-(methylamino)methylene]malonic acid diethyl ester Formula: C19H24N2O7S MolecularWeight: 424.46806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC)SCC(=O)NCC1=CC2=C(C=C1)OCO2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(NC)SCC(=O)NCC1=CC2=C(C=C1)OCO2)C(=O)OCC

InChI

InChI=1S/C19H24N2O7S/c1-4-25-18(23)16(19(24)26-5-2)17(20-3)29-10-15(22)21-9-12-6-7-13-14(8-12)28-11-27-13/h6-8,20H,4-5,9-11H2,1-3H3,(H,21,22)