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

Systemtic Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-1-(2-methoxyethyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-tert-butylphenyl)-4-thiazolyl]-1-(2-methoxyethyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-1-(2-methoxyethyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCOC)C2=CSC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCOC)C2=CSC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C22H26N2O3S/c1-14-17(21(25)26)12-19(24(14)10-11-27-5)18-13-28-20(23-18)15-6-8-16(9-7-15)22(2,3)4/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)