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

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2R)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-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] (2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2CN(C3=CC=CC=C3O2)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)[C@H]2CN(C3=CC=CC=C3O2)C(=O)C

InChI

InChI=1S/C22H24N2O6/c1-11-19(13(3)25)12(2)23-20(11)21(27)14(4)29-22(28)18-10-24(15(5)26)16-8-6-7-9-17(16)30-18/h6-9,14,18,23H,10H2,1-5H3/t14-,18+/m0/s1