2-(4-ethoxy-3-methoxy-phenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(4-ethoxy-3-methoxy-phenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CS4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C24H25N3O5S/c1-3-32-17-8-7-16(14-18(17)31-2)21-20(22(28)19-6-4-13-33-19)23(29)24(30)27(21)11-5-10-26-12-9-25-15-26/h4,6-9,12-15,21H,3,5,10-11H2,1-2H3,(H,28,29)