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

Systemtic Name: cyanomethyl (E)-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoate Traditional Name: (E)-3-(3-methoxy-4-tosyloxy-phenyl)acrylic acid cyanomethyl ester Formula: C19H17NO6S MolecularWeight: 387.40638

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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=CC(=O)OCC#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO6S/c1-14-3-7-16(8-4-14)27(22,23)26-17-9-5-15(13-18(17)24-2)6-10-19(21)25-12-11-20/h3-10,13H,12H2,1-2H3/b10-6+