ethyl (2Z)-2-[(6-chloranylpyridin-3-yl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate

Systemtic Name: ethyl (2Z)-2-[(6-chloranylpyridin-3-yl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate Openeye Name: ethyl (2Z)-2-[(6-chloro-3-pyridyl)-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoate CAS Name: (2Z)-2-[(6-chloro-3-pyridinyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(6-chloropyridin-3-yl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoate Traditional Name: (Z)-3-(6-chloro-3-pyridyl)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)acrylic acid ethyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO5S/c1-3-26-19(23)16(10-11-22)18(14-6-9-17(20)21-12-14)13-4-7-15(8-5-13)27(2,24)25/h4-9,12,22H,3,10-11H2,1-2H3/b18-16-