[(1R)-1-cyanoethyl] (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (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 [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (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 [(1R)-1-cyanoethyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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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)OC(C)C#N)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)O[C@H](C)C#N)OC

InChI

InChI=1S/C21H21NO6S/c1-14-5-6-15(2)20(11-14)29(24,25)28-18-9-7-17(12-19(18)26-4)8-10-21(23)27-16(3)13-22/h5-12,16H,1-4H3/b10-8+/t16-/m1/s1