[4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 2-iodanylbenzoate

Systemtic Name: [4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 2-iodanylbenzoate Openeye Name: [4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(E)-[(1-oxo-2-thiophen-2-ylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] ester Formula: C20H15IN2O3S MolecularWeight: 490.31417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)CC3=CC=CS3)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CC3=CC=CS3)I

InChI

InChI=1S/C20H15IN2O3S/c21-18-6-2-1-5-17(18)20(25)26-15-9-7-14(8-10-15)13-22-23-19(24)12-16-4-3-11-27-16/h1-11,13H,12H2,(H,23,24)/b22-13+