(Z)-4-(6-chloranylpyridin-3-yl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid

Systemtic Name: (Z)-4-(6-chloranylpyridin-3-yl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Openeye Name: (Z)-4-(6-chloro-3-pyridyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid CAS Name: (Z)-4-(6-chloro-3-pyridinyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-3-butenoic acid IUPAC Name: (Z)-4-(6-chloropyridin-3-yl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Traditional Name: (Z)-3-carbethoxy-4-(6-chloro-3-pyridyl)-4-(4-mesylphenyl)but-3-enoic acid Formula: C19H18ClNO6S MolecularWeight: 423.86732

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO6S/c1-3-27-19(24)15(10-17(22)23)18(13-6-9-16(20)21-11-13)12-4-7-14(8-5-12)28(2,25)26/h4-9,11H,3,10H2,1-2H3,(H,22,23)/b18-15-