methyl 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: methyl 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]cyclopenta-2,4-diene-1-carboxylate Openeye Name: methyl 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)-2-pyridyl]cyclopenta-2,4-diene-1-carboxylate CAS Name: 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-cyclopenta-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]cyclopenta-2,4-diene-1-carboxylate Traditional Name: 3-(4-mesylphenyl)-4-[5-(trifluoromethyl)-2-pyridyl]cyclopenta-2,4-diene-1-carboxylic acid methyl ester Formula: C20H16F3NO4S MolecularWeight: 423.40555

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=C(C(=C1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1C=C(C(=C1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H16F3NO4S/c1-28-19(25)13-9-16(12-3-6-15(7-4-12)29(2,26)27)17(10-13)18-8-5-14(11-24-18)20(21,22)23/h3-11,13H,1-2H3