(Z)-4-(3-chloranyl-4-fluoranyl-phenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid

Systemtic Name: (Z)-4-(3-chloranyl-4-fluoranyl-phenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Openeye Name: (Z)-4-(3-chloro-4-fluoro-phenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid CAS Name: (Z)-4-(3-chloro-4-fluorophenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-3-butenoic acid IUPAC Name: (Z)-4-(3-chloro-4-fluorophenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Traditional Name: (Z)-3-carbethoxy-4-(3-chloro-4-fluoro-phenyl)-4-(4-mesylphenyl)but-3-enoic acid Formula: C20H18ClFO6S MolecularWeight: 440.869723

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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(=C(C=C2)F)Cl)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFO6S/c1-3-28-20(25)15(11-18(23)24)19(13-6-9-17(22)16(21)10-13)12-4-7-14(8-5-12)29(2,26)27/h4-10H,3,11H2,1-2H3,(H,23,24)/b19-15-