methyl 3-[2-(4-fluorophenyl)-4-methylsulfonyl-phenyl]cyclopent-3-ene-1-carboxylate

Systemtic Name: methyl 3-[2-(4-fluorophenyl)-4-methylsulfonyl-phenyl]cyclopent-3-ene-1-carboxylate Openeye Name: methyl 3-[2-(4-fluorophenyl)-4-methylsulfonyl-phenyl]cyclopent-3-ene-1-carboxylate CAS Name: 3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]cyclopent-3-ene-1-carboxylate Traditional Name: 3-[2-(4-fluorophenyl)-4-mesyl-phenyl]cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C20H19FO4S MolecularWeight: 374.425863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=C(C1)C2=C(C=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1CC=C(C1)C2=C(C=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FO4S/c1-25-20(22)15-4-3-14(11-15)18-10-9-17(26(2,23)24)12-19(18)13-5-7-16(21)8-6-13/h3,5-10,12,15H,4,11H2,1-2H3