2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)ethylthio]phenoxy]acetic acid IUPAC Name: 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)ethylthio]phenoxy]acetic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=O)N1CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=CC(=O)N1CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-2-20-23-19(16-6-4-3-5-7-16)14-21(25)24(20)12-13-29-18-10-8-17(9-11-18)28-15-22(26)27/h3-11,14H,2,12-13,15H2,1H3,(H,26,27)