[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 5-(4-fluorophenyl)furan-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-furancarboxylic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate Traditional Name: 5-(4-fluorophenyl)furan-2-carboxylic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H20FNO5 MolecularWeight: 397.396303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FNO5/c1-11-19(13(3)25)12(2)24-20(11)21(26)14(4)28-22(27)18-10-9-17(29-18)15-5-7-16(23)8-6-15/h5-10,14,24H,1-4H3/t14-/m0/s1