[4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]phenyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [4-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]phenyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]phenyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [4-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [4-[(E)-(piperonyloylhydrazono)methyl]phenyl] ester Formula: C25H17ClN2O6S MolecularWeight: 508.93028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)C=NNC(=O)C4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)/C=N/NC(=O)C4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C25H17ClN2O6S/c1-31-17-7-8-18-21(11-17)35-23(22(18)26)25(30)34-16-5-2-14(3-6-16)12-27-28-24(29)15-4-9-19-20(10-15)33-13-32-19/h2-12H,13H2,1H3,(H,28,29)/b27-12+