[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19NO5S/c1-13-2-5-15(6-3-13)26-9-8-20-18(21)11-23-19(22)14-4-7-16-17(10-14)25-12-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)