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

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic 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] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C20H21NO6/c1-10-17(12(3)22)11(2)21-18(10)19(23)13(4)26-20(24)16-9-25-14-7-5-6-8-15(14)27-16/h5-8,13,16,21H,9H2,1-4H3/t13-,16+/m0/s1