ethyl (2S)-2-(5-ethanoyl-1-methyl-pyrrol-2-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: ethyl (2S)-2-(5-ethanoyl-1-methyl-pyrrol-2-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2S)-2-(5-acetyl-1-methyl-pyrrol-2-yl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: (2S)-2-(5-acetyl-1-methyl-2-pyrrolyl)-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(5-acetyl-1-methylpyrrol-2-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: (2S)-2-(5-acetyl-1-methyl-pyrrol-2-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester Formula: C12H14F3NO4 MolecularWeight: 293.23907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(N1C)C(=O)C)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)[C@@](C1=CC=C(N1C)C(=O)C)(C(F)(F)F)O

InChI

InChI=1S/C12H14F3NO4/c1-4-20-10(18)11(19,12(13,14)15)9-6-5-8(7(2)17)16(9)3/h5-6,19H,4H2,1-3H3/t11-/m0/s1