ethyl (2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate

Systemtic Name: ethyl (2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate Openeye Name: ethyl (2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoate CAS Name: (2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoate Traditional Name: (Z)-3-(4-bromophenyl)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)acrylic acid ethyl ester Formula: C20H21BrO5S MolecularWeight: 453.34674

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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)Br)CCO

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrO5S/c1-3-26-20(23)18(12-13-22)19(14-4-8-16(21)9-5-14)15-6-10-17(11-7-15)27(2,24)25/h4-11,22H,3,12-13H2,1-2H3/b19-18+