2-[4-[[2-(4-chlorophenyl)pyrimidin-4-yl]methylsulfanyl]-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)pyrimidin-4-yl]methylsulfanyl]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)pyrimidin-4-yl]methylsulfanyl]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[2-(4-chlorophenyl)-4-pyrimidinyl]methylthio]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)pyrimidin-4-yl]methylsulfanyl]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[2-(4-chlorophenyl)pyrimidin-4-yl]methylthio]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=NC(=NC=C2)C3=CC=C(C=C3)Cl)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=NC(=NC=C2)C3=CC=C(C=C3)Cl)OC(C)(C)C(=O)O

InChI

InChI=1S/C22H21ClN2O3S/c1-14-12-18(8-9-19(14)28-22(2,3)21(26)27)29-13-17-10-11-24-20(25-17)15-4-6-16(23)7-5-15/h4-12H,13H2,1-3H3,(H,26,27)