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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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