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

Systemtic Name: dimethyl 3-[2-(4-fluorophenyl)-5-methylsulfonyl-pyridin-3-yl]cyclopent-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-[2-(4-fluorophenyl)-5-methylsulfonyl-3-pyridyl]cyclopent-3-ene-1,1-dicarboxylate CAS Name: 3-[2-(4-fluorophenyl)-5-methylsulfonyl-3-pyridinyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[2-(4-fluorophenyl)-5-methylsulfonylpyridin-3-yl]cyclopent-3-ene-1,1-dicarboxylate Traditional Name: 3-[2-(4-fluorophenyl)-5-mesyl-3-pyridyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester Formula: C21H20FNO6S MolecularWeight: 433.450003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC=C(C1)C2=CC(=CN=C2C3=CC=C(C=C3)F)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC=C(C1)C2=CC(=CN=C2C3=CC=C(C=C3)F)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C21H20FNO6S/c1-28-19(24)21(20(25)29-2)9-8-14(11-21)17-10-16(30(3,26)27)12-23-18(17)13-4-6-15(22)7-5-13/h4-8,10,12H,9,11H2,1-3H3