[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C18H17NO5S/c20-17(19-8-9-25-14-4-2-1-3-5-14)11-22-18(21)13-6-7-15-16(10-13)24-12-23-15/h1-7,10H,8-9,11-12H2,(H,19,20)