ethyl (2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate

Systemtic Name: ethyl (2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate Openeye Name: ethyl (2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoate CAS Name: (2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[cyclohexyl-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoate Traditional Name: (E)-3-cyclohexyl-2-(2-hydroxyethyl)-3-(4-mesylphenyl)acrylic acid ethyl ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1CCCCC1)C2=CC=C(C=C2)S(=O)(=O)C)CCO

Isomeric SMILES

CCOC(=O)/C(=C(\C1CCCCC1)/C2=CC=C(C=C2)S(=O)(=O)C)/CCO

InChI

InChI=1S/C20H28O5S/c1-3-25-20(22)18(13-14-21)19(15-7-5-4-6-8-15)16-9-11-17(12-10-16)26(2,23)24/h9-12,15,21H,3-8,13-14H2,1-2H3/b19-18+