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

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(4-ethoxy-3-methoxy-phenyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C24H28N2O6S/c1-3-32-17-7-6-16(15-18(17)30-2)21-20(22(27)19-5-4-14-33-19)23(28)24(29)26(21)9-8-25-10-12-31-13-11-25/h4-7,14-15,21,28H,3,8-13H2,1-2H3