3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5

InChI

InChI=1S/C24H24N2O5S/c27-22(18-15-16-5-1-2-6-17(16)31-18)20-21(19-7-3-14-32-19)26(24(29)23(20)28)9-4-8-25-10-12-30-13-11-25/h1-3,5-7,14-15,21,28H,4,8-13H2