[(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [(1S)-2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H17FN2O4 MolecularWeight: 332.326283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC(=CN2C)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC(=CN2C)C(=O)C

InChI

InChI=1S/C17H17FN2O4/c1-10(21)12-8-15(20(3)9-12)17(23)24-11(2)16(22)19-14-7-5-4-6-13(14)18/h4-9,11H,1-3H3,(H,19,22)/t11-/m0/s1