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

Systemtic Name: ethyl 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethyl]phenyl]propanoate Openeye Name: ethyl 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethyl]phenyl]propanoate CAS Name: 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethyl]phenyl]propanoate Traditional Name: 2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethyl]phenyl]propionic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)CCC2=CC=C(C=C2)OS(=O)(=O)C)C#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)CCC2=CC=C(C=C2)OS(=O)(=O)C)C#N

InChI

InChI=1S/C21H23NO5S/c1-3-26-21(23)19(15-22)14-18-8-6-16(7-9-18)4-5-17-10-12-20(13-11-17)27-28(2,24)25/h6-13,19H,3-5,14H2,1-2H3