dimethyl 3-(4-fluorophenyl)-4-(5-methylsulfonylpyridin-2-yl)cyclopent-3-ene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-(4-fluorophenyl)-4-(5-methylsulfonylpyridin-2-yl)cyclopent-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-(4-fluorophenyl)-4-(5-methylsulfonyl-2-pyridyl)cyclopent-3-ene-1,1-dicarboxylate CAS Name: 3-(4-fluorophenyl)-4-(5-methylsulfonyl-2-pyridinyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-fluorophenyl)-4-(5-methylsulfonylpyridin-2-yl)cyclopent-3-ene-1,1-dicarboxylate Traditional Name: 3-(4-fluorophenyl)-4-(5-mesyl-2-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=NC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC(=C(C1)C2=NC=C(C=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)10-16(13-4-6-14(22)7-5-13)17(11-21)18-9-8-15(12-23-18)30(3,26)27/h4-9,12H,10-11H2,1-3H3