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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

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