(Z)-3-ethoxycarbonyl-4-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)but-3-enoic acid

Systemtic Name: (Z)-3-ethoxycarbonyl-4-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)but-3-enoic acid Openeye Name: (Z)-3-ethoxycarbonyl-4-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)but-3-enoic acid CAS Name: (Z)-3-ethoxycarbonyl-4-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)-3-butenoic acid IUPAC Name: (Z)-3-ethoxycarbonyl-4-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)but-3-enoic acid Traditional Name: (Z)-3-carbethoxy-4-(3-fluorophenyl)-4-(4-mesylphenyl)but-3-enoic acid Formula: C20H19FO6S MolecularWeight: 406.424663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC(=CC=C2)F)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19FO6S/c1-3-27-20(24)17(12-18(22)23)19(14-5-4-6-15(21)11-14)13-7-9-16(10-8-13)28(2,25)26/h4-11H,3,12H2,1-2H3,(H,22,23)/b19-17-