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

Systemtic Name: 5-[2-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-[(4-tert-butylphenoxy)methyl]thiazol-4-yl]-1-(2-methoxyethyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-[(4-tert-butylphenoxy)methyl]-4-thiazolyl]-1-(2-methoxyethyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-[2-[(4-tert-butylphenoxy)methyl]thiazol-4-yl]-1-(2-methoxyethyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCOC)C2=CSC(=N2)COC3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCOC)C2=CSC(=N2)COC3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C23H28N2O4S/c1-15-18(22(26)27)12-20(25(15)10-11-28-5)19-14-30-21(24-19)13-29-17-8-6-16(7-9-17)23(2,3)4/h6-9,12,14H,10-11,13H2,1-5H3,(H,26,27)