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

Systemtic Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-tert-butylphenyl)-4-thiazolyl]-1-(cyclohexylmethyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C26H32N2O2S MolecularWeight: 436.60948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C26H32N2O2S/c1-17-21(25(29)30)14-23(28(17)15-18-8-6-5-7-9-18)22-16-31-24(27-22)19-10-12-20(13-11-19)26(2,3)4/h10-14,16,18H,5-9,15H2,1-4H3,(H,29,30)