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

Systemtic Name: methyl 2-[2-(4-butoxy-3-ethoxy-phenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[2-(4-butoxy-3-ethoxy-phenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(4-butoxy-3-ethoxy-phenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C27H28N2O7S2 MolecularWeight: 556.65042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O7S2/c1-5-7-12-36-17-11-10-16(14-18(17)35-6-2)21-20(22(30)19-9-8-13-37-19)23(31)25(32)29(21)27-28-15(3)24(38-27)26(33)34-4/h8-11,13-14,21,31H,5-7,12H2,1-4H3