methyl 2-[5-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]furan-2-yl]benzoate

Systemtic Name: methyl 2-[5-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]furan-2-yl]benzoate Openeye Name: methyl 2-[5-[(E)-2-cyano-2-(p-tolylsulfonyl)vinyl]-2-furyl]benzoate CAS Name: 2-[5-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(E)-2-cyano-2-tosyl-vinyl]-2-furyl]benzoic acid methyl ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3C(=O)OC)/C#N

InChI

InChI=1S/C22H17NO5S/c1-15-7-10-17(11-8-15)29(25,26)18(14-23)13-16-9-12-21(28-16)19-5-3-4-6-20(19)22(24)27-2/h3-13H,1-2H3/b18-13+