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

Systemtic Name: 1-butyl-5-[2-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-butyl-5-[2-[(4-tert-butylphenoxy)methyl]thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-butyl-5-[2-[(4-tert-butylphenoxy)methyl]-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-butyl-5-[2-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-butyl-5-[2-[(4-tert-butylphenoxy)methyl]thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)COC3=CC=C(C=C3)C(C)(C)C)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)COC3=CC=C(C=C3)C(C)(C)C)C(=O)O)C

InChI

InChI=1S/C24H30N2O3S/c1-6-7-12-26-16(2)19(23(27)28)13-21(26)20-15-30-22(25-20)14-29-18-10-8-17(9-11-18)24(3,4)5/h8-11,13,15H,6-7,12,14H2,1-5H3,(H,27,28)