[(2R,3S)-3-acetyloxy-4-(5-methyl-1H-pyrrol-2-yl)-2-oxidanyl-butyl] ethanoate

Systemtic Name: [(2R,3S)-3-acetyloxy-4-(5-methyl-1H-pyrrol-2-yl)-2-oxidanyl-butyl] ethanoate Openeye Name: [(2R,3S)-3-acetoxy-2-hydroxy-4-(5-methyl-1H-pyrrol-2-yl)butyl] acetate CAS Name: acetic acid [(2R,3S)-3-acetyloxy-2-hydroxy-4-(5-methyl-1H-pyrrol-2-yl)butyl] ester IUPAC Name: [(2R,3S)-3-acetyloxy-2-hydroxy-4-(5-methyl-1H-pyrrol-2-yl)butyl] acetate Traditional Name: acetic acid [(2R,3S)-3-acetoxy-2-hydroxy-4-(5-methyl-1H-pyrrol-2-yl)butyl] ester Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1)CC(C(COC(=O)C)O)OC(=O)C

Isomeric SMILES

CC1=CC=C(N1)C[C@@H]([C@@H](COC(=O)C)O)OC(=O)C

InChI

InChI=1S/C13H19NO5/c1-8-4-5-11(14-8)6-13(19-10(3)16)12(17)7-18-9(2)15/h4-5,12-14,17H,6-7H2,1-3H3/t12-,13+/m1/s1