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

Systemtic Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-tert-butylphenyl)-4-thiazolyl]-1-[(4-methoxyphenyl)methyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-2-methyl-1-p-anisyl-pyrrole-3-carboxylic acid Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC=C(C=C2)OC)C3=CSC(=N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2=CC=C(C=C2)OC)C3=CSC(=N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C27H28N2O3S/c1-17-22(26(30)31)14-24(29(17)15-18-6-12-21(32-5)13-7-18)23-16-33-25(28-23)19-8-10-20(11-9-19)27(2,3)4/h6-14,16H,15H2,1-5H3,(H,30,31)