ethyl 2-[2-(4-butoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-butoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-butoxyphenyl)-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-(4-butoxyphenyl)-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-butoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(4-butoxyphenyl)-4-hydroxy-5-keto-3-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C31H30N2O8S MolecularWeight: 590.6435

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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)OCC)C)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC

InChI

InChI=1S/C31H30N2O8S/c1-5-7-15-40-20-13-11-18(12-14-20)24-23(25(34)22-16-19-9-8-10-21(38-4)27(19)41-22)26(35)29(36)33(24)31-32-17(3)28(42-31)30(37)39-6-2/h8-14,16,24,35H,5-7,15H2,1-4H3