(2S)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-1-(2-morpholin-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-1-(2-morpholin-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(2-morpholinoethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-1-[2-(4-morpholinyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)-2-keto-1-(2-morpholinoethyl)-3-pyrrolin-3-olate Formula: C19H21N2O6- MolecularWeight: 373.37984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC3=C(C=C2)OCO3)CCN4CCOCC4)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC3=C(C=C2)OCO3)CCN4CCOCC4)[O-]

InChI

InChI=1S/C19H22N2O6/c1-12(22)16-17(13-2-3-14-15(10-13)27-11-26-14)21(19(24)18(16)23)5-4-20-6-8-25-9-7-20/h2-3,10,17,23H,4-9,11H2,1H3/p-1/t17-/m0/s1