prop-2-enyl (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxy-4-tosyloxy-phenyl)acrylic acid allyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OCC=C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OCC=C)OC

InChI

InChI=1S/C21H19NO6S/c1-4-11-27-21(23)17(14-22)12-16-7-10-19(20(13-16)26-3)28-29(24,25)18-8-5-15(2)6-9-18/h4-10,12-13H,1,11H2,2-3H3/b17-12+