ethyl 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoate

Systemtic Name: ethyl 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoate Openeye Name: ethyl 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoate CAS Name: 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoate Traditional Name: 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propionic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C#N

InChI

InChI=1S/C21H23NO6S/c1-3-26-21(23)18(15-22)14-17-6-8-19(9-7-17)27-13-12-16-4-10-20(11-5-16)28-29(2,24)25/h4-11,18H,3,12-14H2,1-2H3