5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-1-isobutyl-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-tert-butylphenyl)-4-thiazolyl]-2-methyl-1-(2-methylpropyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-1-isobutyl-2-methyl-pyrrole-3-carboxylic acid Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C23H28N2O2S/c1-14(2)12-25-15(3)18(22(26)27)11-20(25)19-13-28-21(24-19)16-7-9-17(10-8-16)23(4,5)6/h7-11,13-14H,12H2,1-6H3,(H,26,27)