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

Systemtic Name: ethyl 2-[2-(3-butoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(3-butoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-(3-butoxyphenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-butoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(3-butoxyphenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C26H26N2O6S2 MolecularWeight: 526.62444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)C4=CC=CS4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H26N2O6S2/c1-4-6-12-34-17-10-7-9-16(14-17)20-19(21(29)18-11-8-13-35-18)22(30)24(31)28(20)26-27-15(3)23(36-26)25(32)33-5-2/h7-11,13-14,20,30H,4-6,12H2,1-3H3