[2-methoxy-4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-methoxy-4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-methoxy-4-[(E)-[(1-oxo-2-thiophen-2-ylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-methoxy-4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=CS2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CC2=CC=CS2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18N2O6S/c1-27-19-9-14(12-23-24-21(25)11-16-3-2-8-31-16)4-6-18(19)30-22(26)15-5-7-17-20(10-15)29-13-28-17/h2-10,12H,11,13H2,1H3,(H,24,25)/b23-12+