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

Systemtic Name: methyl 2-[3-(1-benzofuran-2-ylcarbonyl)-2-(4-butoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[3-(benzofuran-2-carbonyl)-2-(4-butoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-[2-benzofuranyl(oxo)methyl]-2-(4-butoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1-benzofuran-2-carbonyl)-2-(4-butoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(benzofuran-2-carbonyl)-2-(4-butoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C29H26N2O7S MolecularWeight: 546.59094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OC)C)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OC)C)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H26N2O7S/c1-4-5-14-37-19-12-10-17(11-13-19)23-22(24(32)21-15-18-8-6-7-9-20(18)38-21)25(33)27(34)31(23)29-30-16(2)26(39-29)28(35)36-3/h6-13,15,23,33H,4-5,14H2,1-3H3