ethyl (2Z)-2-[(3-chloranyl-4-fluoranyl-phenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate

Systemtic Name: ethyl (2Z)-2-[(3-chloranyl-4-fluoranyl-phenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate Openeye Name: ethyl (2Z)-2-[(3-chloro-4-fluoro-phenyl)-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoate CAS Name: (2Z)-2-[(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoate Traditional Name: (Z)-3-(3-chloro-4-fluoro-phenyl)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)acrylic acid ethyl ester Formula: C20H20ClFO5S MolecularWeight: 426.886203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC(=C(C=C2)F)Cl)CCO

Isomeric SMILES

CCOC(=O)/C(=C(/C1=CC=C(C=C1)S(=O)(=O)C)\C2=CC(=C(C=C2)F)Cl)/CCO

InChI

InChI=1S/C20H20ClFO5S/c1-3-27-20(24)16(10-11-23)19(14-6-9-18(22)17(21)12-14)13-4-7-15(8-5-13)28(2,25)26/h4-9,12,23H,3,10-11H2,1-2H3/b19-16-