[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C18H16N2O6S/c19-16(21)9-27-15-4-2-1-3-12(15)20-17(22)8-24-18(23)11-5-6-13-14(7-11)26-10-25-13/h1-7H,8-10H2,(H2,19,21)(H,20,22)