ethyl (2Z)-2-[(3-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate

Systemtic Name: ethyl (2Z)-2-[(3-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate Openeye Name: ethyl (2Z)-2-[(3-bromophenyl)-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoate CAS Name: (2Z)-2-[(3-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(3-bromophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoate Traditional Name: (Z)-3-(3-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(=CC=C2)Br)CCO

Isomeric SMILES

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

InChI

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