[2-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(E)-[(1-oxo-2-thiophen-2-ylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3C=NNC(=O)CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3/C=N/NC(=O)CC4=CC=CS4

InChI

InChI=1S/C21H16N2O5S/c24-20(11-16-5-3-9-29-16)23-22-12-15-4-1-2-6-17(15)28-21(25)14-7-8-18-19(10-14)27-13-26-18/h1-10,12H,11,13H2,(H,23,24)/b22-12+