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

Systemtic Name: ethyl (E)-2-cyano-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]acrylic acid ethyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C)OC)/C#N

InChI

InChI=1S/C21H21NO6S/c1-5-27-21(23)17(13-22)11-16-8-9-18(19(12-16)26-4)28-29(24,25)20-10-14(2)6-7-15(20)3/h6-12H,5H2,1-4H3/b17-11+