methyl 2-[5-[(Z)-2-cyano-2-(4-fluorophenyl)sulfonyl-ethenyl]furan-2-yl]benzoate

Systemtic Name: methyl 2-[5-[(Z)-2-cyano-2-(4-fluorophenyl)sulfonyl-ethenyl]furan-2-yl]benzoate Openeye Name: methyl 2-[5-[(Z)-2-cyano-2-(4-fluorophenyl)sulfonyl-vinyl]-2-furyl]benzoate CAS Name: 2-[5-[(Z)-2-cyano-2-(4-fluorophenyl)sulfonylethenyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-[(Z)-2-cyano-2-(4-fluorophenyl)sulfonylethenyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(Z)-2-cyano-2-(4-fluorophenyl)sulfonyl-vinyl]-2-furyl]benzoic acid methyl ester Formula: C21H14FNO5S MolecularWeight: 411.402963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C(/C#N)\S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H14FNO5S/c1-27-21(24)19-5-3-2-4-18(19)20-11-8-15(28-20)12-17(13-23)29(25,26)16-9-6-14(22)7-10-16/h2-12H,1H3/b17-12-