ethyl 2-[2-(3-ethoxy-4-phenylmethoxy-phenyl)-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-ethoxy-4-phenylmethoxy-phenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-benzyloxy-3-ethoxy-phenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-(3-ethoxy-4-phenylmethoxyphenyl)-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-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(4-benzoxy-3-ethoxy-phenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C31H28N2O7S2 MolecularWeight: 604.69322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)C4=CC=CS4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)C4=CC=CS4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O7S2/c1-4-38-22-16-20(13-14-21(22)40-17-19-10-7-6-8-11-19)25-24(26(34)23-12-9-15-41-23)27(35)29(36)33(25)31-32-18(3)28(42-31)30(37)39-5-2/h6-16,25,35H,4-5,17H2,1-3H3