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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O)C

InChI

InChI=1S/C23H28N2O2S/c1-6-7-12-25-15(2)18(22(26)27)13-20(25)19-14-28-21(24-19)16-8-10-17(11-9-16)23(3,4)5/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,27)