dimethyl 3-(4-fluorophenyl)-4-(2-methylsulfonylpyridin-3-yl)cyclopent-3-ene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-(4-fluorophenyl)-4-(2-methylsulfonylpyridin-3-yl)cyclopent-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-(4-fluorophenyl)-4-(2-methylsulfonyl-3-pyridyl)cyclopent-3-ene-1,1-dicarboxylate CAS Name: 3-(4-fluorophenyl)-4-(2-methylsulfonyl-3-pyridinyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-fluorophenyl)-4-(2-methylsulfonylpyridin-3-yl)cyclopent-3-ene-1,1-dicarboxylate Traditional Name: 3-(4-fluorophenyl)-4-(2-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=C(N=CC=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

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

InChI

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