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

Systemtic Name: 2-(2,5-dimethoxyphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(2,5-dimethoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(2,5-dimethoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(2,5-dimethoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(2,5-dimethoxyphenyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C23H20N2O5S/c1-29-15-7-8-17(30-2)16(11-15)20-19(21(26)18-6-4-10-31-18)22(27)23(28)25(20)13-14-5-3-9-24-12-14/h3-12,20,27H,13H2,1-2H3