prop-2-enyl 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: prop-2-enyl 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: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C29H30N2O7S2 MolecularWeight: 582.6877

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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)OCC=C)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)OCC=C)C)O)C(=O)C4=CC=CS4)OCC

InChI

InChI=1S/C29H30N2O7S2/c1-5-8-14-37-19-12-11-18(16-20(19)36-7-3)23-22(24(32)21-10-9-15-39-21)25(33)27(34)31(23)29-30-17(4)26(40-29)28(35)38-13-6-2/h6,9-12,15-16,23,33H,2,5,7-8,13-14H2,1,3-4H3