butyl 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethanoate

Systemtic Name: butyl 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethanoate Openeye Name: butyl 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxo-acetate CAS Name: 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolyl]-2-oxoacetic acid butyl ester IUPAC Name: butyl 2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxoacetate Traditional Name: 2-[1-(3-fluorophenyl)-5-(4-mesylphenyl)-2-methyl-pyrrol-3-yl]-2-keto-acetic acid butyl ester Formula: C24H24FNO5S MolecularWeight: 457.514463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCCCOC(=O)C(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C24H24FNO5S/c1-4-5-13-31-24(28)23(27)21-15-22(17-9-11-20(12-10-17)32(3,29)30)26(16(21)2)19-8-6-7-18(25)14-19/h6-12,14-15H,4-5,13H2,1-3H3