2-[4-[[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[[2-(4-bromophenyl)-4-methyl-thiazol-5-yl]methylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[2-(4-bromophenyl)-4-methyl-5-thiazolyl]methylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[2-(4-bromophenyl)-4-methyl-thiazol-5-yl]methylthio]-2-methyl-phenoxy]acetic acid Formula: C20H18BrNO3S2 MolecularWeight: 464.39582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)Br)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)Br)C)OCC(=O)O

InChI

InChI=1S/C20H18BrNO3S2/c1-12-9-16(7-8-17(12)25-10-19(23)24)26-11-18-13(2)22-20(27-18)14-3-5-15(21)6-4-14/h3-9H,10-11H2,1-2H3,(H,23,24)