prop-2-enyl 2-[(2S)-2-(4-tert-butylphenyl)-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-[(2S)-2-(4-tert-butylphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: allyl 2-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(2S)-2-(4-tert-butylphenyl)-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-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid allyl ester Formula: C27H26N2O5S2 MolecularWeight: 522.63574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)(C)C)C(=O)OCC=C

Isomeric SMILES

CC1=C(SC(=N1)N2[C@H](C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)(C)C)C(=O)OCC=C

InChI

InChI=1S/C27H26N2O5S2/c1-6-13-34-25(33)23-15(2)28-26(36-23)29-20(16-9-11-17(12-10-16)27(3,4)5)19(22(31)24(29)32)21(30)18-8-7-14-35-18/h6-12,14,20,31H,1,13H2,2-5H3/t20-/m0/s1