ethyl 2-[3-(1-benzofuran-2-ylcarbonyl)-2-(4-iodophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[3-(1-benzofuran-2-ylcarbonyl)-2-(4-iodophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(benzofuran-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(4-iodophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(benzofuran-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-5-keto-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C26H19IN2O6S MolecularWeight: 614.40833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)I)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)I)C

InChI

InChI=1S/C26H19IN2O6S/c1-3-34-25(33)23-13(2)28-26(36-23)29-20(14-8-10-16(27)11-9-14)19(22(31)24(29)32)21(30)18-12-15-6-4-5-7-17(15)35-18/h4-12,20,31H,3H2,1-2H3