3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(pyridin-1-ium-3-ylmethyl)-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C24H18N2O5S MolecularWeight: 446.47512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=CS4)CC5=C[NH+]=CC=C5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=CS4)CC5=C[NH+]=CC=C5)[O-]

InChI

InChI=1S/C24H18N2O5S/c1-30-16-7-2-6-15-11-17(31-23(15)16)21(27)19-20(18-8-4-10-32-18)26(24(29)22(19)28)13-14-5-3-9-25-12-14/h2-12,20,28H,13H2,1H3