dimethyl 3-(5-fluoranylpyridin-2-yl)-4-(4-methylsulfonylphenyl)cyclopenta-2,4-diene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-(5-fluoranylpyridin-2-yl)-4-(4-methylsulfonylphenyl)cyclopenta-2,4-diene-1,1-dicarboxylate Openeye Name: dimethyl 3-(5-fluoro-2-pyridyl)-4-(4-methylsulfonylphenyl)cyclopenta-2,4-diene-1,1-dicarboxylate CAS Name: 3-(5-fluoro-2-pyridinyl)-4-(4-methylsulfonylphenyl)cyclopenta-2,4-diene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(5-fluoropyridin-2-yl)-4-(4-methylsulfonylphenyl)cyclopenta-2,4-diene-1,1-dicarboxylate Traditional Name: 3-(5-fluoro-2-pyridyl)-4-(4-mesylphenyl)cyclopenta-2,4-diene-1,1-dicarboxylic acid dimethyl ester Formula: C21H18FNO6S MolecularWeight: 431.434123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FNO6S/c1-28-19(24)21(20(25)29-2)10-16(13-4-7-15(8-5-13)30(3,26)27)17(11-21)18-9-6-14(22)12-23-18/h4-12H,1-3H3