[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C22H16ClNO5S MolecularWeight: 441.88414

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClNO5S/c23-15-6-8-16(9-7-15)30-20-4-2-1-3-17(20)24-21(25)12-27-22(26)14-5-10-18-19(11-14)29-13-28-18/h1-11H,12-13H2,(H,24,25)