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

Systemtic Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-2-methyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-tert-butylphenyl)-4-thiazolyl]-2-methyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-tert-butylphenyl)thiazol-4-yl]-2-methyl-1-(2-thenyl)pyrrole-3-carboxylic acid Formula: C24H24N2O2S2 MolecularWeight: 436.58956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC=CS2)C3=CSC(=N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2=CC=CS2)C3=CSC(=N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C24H24N2O2S2/c1-15-19(23(27)28)12-21(26(15)13-18-6-5-11-29-18)20-14-30-22(25-20)16-7-9-17(10-8-16)24(2,3)4/h5-12,14H,13H2,1-4H3,(H,27,28)