2-(4-ethoxy-3-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(4-ethoxy-3-methoxy-phenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C25H30N2O6S/c1-3-33-18-8-7-17(16-19(18)31-2)22-21(23(28)20-6-4-15-34-20)24(29)25(30)27(22)10-5-9-26-11-13-32-14-12-26/h4,6-8,15-16,22,29H,3,5,9-14H2,1-2H3