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

Systemtic Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-1-(3-methoxypropyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-tert-butylphenyl)-4-thiazolyl]-1-(3-methoxypropyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-1-(3-methoxypropyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCOC)C2=CSC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCCOC)C2=CSC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C23H28N2O3S/c1-15-18(22(26)27)13-20(25(15)11-6-12-28-5)19-14-29-21(24-19)16-7-9-17(10-8-16)23(2,3)4/h7-10,13-14H,6,11-12H2,1-5H3,(H,26,27)