propan-2-yl (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate

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

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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=C(C#N)C(=O)OC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-14(2)27-21(23)17(13-22)11-16-7-10-19(20(12-16)26-4)28-29(24,25)18-8-5-15(3)6-9-18/h5-12,14H,1-4H3/b17-11+