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

Systemtic Name: ethyl 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxo-acetate CAS Name: 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolyl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxoacetate Traditional Name: 2-[1-(4-fluorophenyl)-5-(4-mesylphenyl)-2-methyl-pyrrol-3-yl]-2-keto-acetic acid ethyl ester Formula: C22H20FNO5S MolecularWeight: 429.461303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-5-11-18(12-6-15)30(3,27)28)24(14(19)2)17-9-7-16(23)8-10-17/h5-13H,4H2,1-3H3