2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylsulfanyl-3,3-diphenyl-propanoic acid

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylsulfanyl-3,3-diphenyl-propanoic acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylsulfanyl-3,3-diphenyl-propanoic acid CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-(methylthio)-3,3-diphenylpropanoic acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylsulfanyl-3,3-diphenylpropanoic acid Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(methylthio)-3,3-diphenyl-propionic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC)OC

InChI

InChI=1S/C22H22N2O5S/c1-27-17-14-18(28-2)24-21(23-17)29-19(20(25)26)22(30-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)