cyanomethyl (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]acrylic acid cyanomethyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO6S/c1-14-4-5-15(2)19(12-14)28(23,24)27-17-8-6-16(13-18(17)25-3)7-9-20(22)26-11-10-21/h4-9,12-13H,11H2,1-3H3/b9-7+