2-[2-methyl-4-[3-methyl-4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethoxy]phenyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[3-methyl-4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethoxy]phenyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[3-methyl-4-[2-oxo-2-(2-pyridylamino)ethoxy]phenyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[3-methyl-4-[2-oxo-2-(2-pyridinylamino)ethoxy]phenyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[3-methyl-4-[2-oxo-2-(pyridin-2-ylamino)ethoxy]phenyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[4-[[4-[2-keto-2-(2-pyridylamino)ethoxy]-3-methyl-phenyl]thio]-2-methyl-phenoxy]acetic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)OCC(=O)O)C)OCC(=O)NC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)OCC(=O)O)C)OCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C23H22N2O5S/c1-15-11-17(31-18-7-9-20(16(2)12-18)30-14-23(27)28)6-8-19(15)29-13-22(26)25-21-5-3-4-10-24-21/h3-12H,13-14H2,1-2H3,(H,27,28)(H,24,25,26)