4-[2-[4-(4-cyano-3-methylsulfanyl-1,2-oxazol-5-yl)phenoxy]ethoxy]-2-ethyl-benzoic acid

Systemtic Name: 4-[2-[4-(4-cyano-3-methylsulfanyl-1,2-oxazol-5-yl)phenoxy]ethoxy]-2-ethyl-benzoic acid Openeye Name: 4-[2-[4-(4-cyano-3-methylsulfanyl-isoxazol-5-yl)phenoxy]ethoxy]-2-ethyl-benzoic acid CAS Name: 4-[2-[4-[4-cyano-3-(methylthio)-5-isoxazolyl]phenoxy]ethoxy]-2-ethylbenzoic acid IUPAC Name: 4-[2-[4-(4-cyano-3-methylsulfanyl-1,2-oxazol-5-yl)phenoxy]ethoxy]-2-ethylbenzoic acid Traditional Name: 4-[2-[4-[4-cyano-3-(methylthio)isoxazol-5-yl]phenoxy]ethoxy]-2-ethyl-benzoic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCOC2=CC=C(C=C2)C3=C(C(=NO3)SC)C#N)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCOC2=CC=C(C=C2)C3=C(C(=NO3)SC)C#N)C(=O)O

InChI

InChI=1S/C22H20N2O5S/c1-3-14-12-17(8-9-18(14)22(25)26)28-11-10-27-16-6-4-15(5-7-16)20-19(13-23)21(30-2)24-29-20/h4-9,12H,3,10-11H2,1-2H3,(H,25,26)