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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=CS5

InChI

InChI=1S/C23H22N2O5S/c26-21(17-14-15-4-1-2-5-16(15)30-17)19-20(18-6-3-13-31-18)25(23(28)22(19)27)8-7-24-9-11-29-12-10-24/h1-6,13-14,20,27H,7-12H2