2-(4-methoxyphenyl)-2-pyrimidin-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-(4-methoxyphenyl)-2-pyrimidin-2-ylsulfanyl-ethanoic acid Openeye Name: 2-(4-methoxyphenyl)-2-pyrimidin-2-ylsulfanyl-acetic acid CAS Name: 2-(4-methoxyphenyl)-2-(2-pyrimidinylthio)acetic acid IUPAC Name: 2-(4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetic acid Traditional Name: 2-(4-methoxyphenyl)-2-(2-pyrimidylthio)acetic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)O)SC2=NC=CC=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)O)SC2=NC=CC=N2

InChI

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