ethyl (E)-2-cyano-3-[3-ethoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[3-ethoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-ethoxy-4-(p-tolylsulfonyloxy)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-ethoxy-4-(4-methylphenyl)sulfonyloxyphenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[3-ethoxy-4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-ethoxy-4-tosyloxy-phenyl)acrylic acid ethyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

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