2-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanyl-ethanoic acid Openeye Name: 2-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanyl-acetic acid CAS Name: 2-(2-methoxyphenyl)-2-(2-pyrimidinylthio)acetic acid IUPAC Name: 2-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetic acid Traditional Name: 2-(2-methoxyphenyl)-2-(2-pyrimidylthio)acetic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C(=O)O)SC2=NC=CC=N2

Isomeric SMILES

COC1=CC=CC=C1C(C(=O)O)SC2=NC=CC=N2

InChI

InChI=1S/C13H12N2O3S/c1-18-10-6-3-2-5-9(10)11(12(16)17)19-13-14-7-4-8-15-13/h2-8,11H,1H3,(H,16,17)