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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C23H16N2O4S MolecularWeight: 416.44914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC=CS4)CC5=C[NH+]=CC=C5)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC=CS4)CC5=C[NH+]=CC=C5)[O-]

InChI

InChI=1S/C23H16N2O4S/c26-21(17-11-15-6-1-2-7-16(15)29-17)19-20(18-8-4-10-30-18)25(23(28)22(19)27)13-14-5-3-9-24-12-14/h1-12,20,27H,13H2