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

Systemtic Name: 2-(4-fluorophenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(4-fluorophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(4-fluorophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(4-fluorophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(4-fluorophenyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H15FN2O3S MolecularWeight: 394.418803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=C[NH+]=C1)CN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN2O3S/c22-15-7-5-14(6-8-15)18-17(19(25)16-4-2-10-28-16)20(26)21(27)24(18)12-13-3-1-9-23-11-13/h1-11,18,26H,12H2