dimethyl 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]cyclopent-3-ene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]cyclopent-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)-2-pyridyl]cyclopent-3-ene-1,1-dicarboxylate CAS Name: 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]cyclopent-3-ene-1,1-dicarboxylate Traditional Name: 3-(4-mesylphenyl)-4-[5-(trifluoromethyl)-2-pyridyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester Formula: C22H20F3NO6S MolecularWeight: 483.45751

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=C(C1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC(=C(C1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C22H20F3NO6S/c1-31-19(27)21(20(28)32-2)10-16(13-4-7-15(8-5-13)33(3,29)30)17(11-21)18-9-6-14(12-26-18)22(23,24)25/h4-9,12H,10-11H2,1-3H3