dimethyl 2-[2-[2-(2-fluorophenyl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-(2-fluorophenyl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(2-fluorobenzoyl)-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(2-fluorophenyl)-oxomethyl]-5-methylsulfonyl-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(2-fluorobenzoyl)-5-methylsulfonylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(2-fluorobenzoyl)-5-mesyl-pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C19H20FNO7S MolecularWeight: 425.428003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC=C1S(=O)(=O)C)C(=O)C2=CC=CC=C2F)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC=C1S(=O)(=O)C)C(=O)C2=CC=CC=C2F)C(=O)OC

InChI

InChI=1S/C19H20FNO7S/c1-27-18(23)13(19(24)28-2)10-11-21-15(8-9-16(21)29(3,25)26)17(22)12-6-4-5-7-14(12)20/h4-9,13H,10-11H2,1-3H3