2-[2-[(4-bromophenyl)amino]-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(4-bromoanilino)-4-(4-phenoxyphenyl)thiazol-5-yl]acetic acid CAS Name: 2-[2-(4-bromoanilino)-4-(4-phenoxyphenyl)-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(4-bromoanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(4-bromoanilino)-4-(4-phenoxyphenyl)thiazol-5-yl]acetic acid Formula: C23H17BrN2O3S MolecularWeight: 481.36168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(SC(=N3)NC4=CC=C(C=C4)Br)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(SC(=N3)NC4=CC=C(C=C4)Br)CC(=O)O

InChI

InChI=1S/C23H17BrN2O3S/c24-16-8-10-17(11-9-16)25-23-26-22(20(30-23)14-21(27)28)15-6-12-19(13-7-15)29-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,26)(H,27,28)