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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C19H19NO5S/c21-18(20-8-9-26-12-14-4-2-1-3-5-14)11-23-19(22)15-6-7-16-17(10-15)25-13-24-16/h1-7,10H,8-9,11-13H2,(H,20,21)