(2Z)-2-[(6-chloranylpyridin-3-yl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoic acid

Systemtic Name: (2Z)-2-[(6-chloranylpyridin-3-yl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoic acid Openeye Name: (2Z)-2-[(6-chloro-3-pyridyl)-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoic acid CAS Name: (2Z)-2-[(6-chloro-3-pyridinyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid IUPAC Name: (2Z)-2-[(6-chloropyridin-3-yl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid Traditional Name: (Z)-3-(6-chloro-3-pyridyl)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)acrylic acid Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(CCO)C(=O)O)C2=CN=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO5S/c1-25(23,24)13-5-2-11(3-6-13)16(14(8-9-20)17(21)22)12-4-7-15(18)19-10-12/h2-7,10,20H,8-9H2,1H3,(H,21,22)/b16-14-