2-ethoxy-4-[1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]phenolate

Systemtic Name: 2-ethoxy-4-[1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]phenolate Openeye Name: 2-ethoxy-4-[4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]phenolate CAS Name: 2-ethoxy-4-[4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-2-yl]phenolate IUPAC Name: 2-ethoxy-4-[4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]phenolate Traditional Name: 2-ethoxy-4-[4-hydroxy-5-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-(2-thenoyl)-3-pyrrolin-2-yl]phenolate Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O6S/c1-2-32-18-15-16(6-7-17(18)27)21-20(22(28)19-5-3-14-33-19)23(29)24(30)26(21)9-4-8-25-10-12-31-13-11-25/h3,5-7,14-15,21,27,29H,2,4,8-13H2,1H3