(2R)-1-[3-(diethylazaniumyl)propyl]-2-(3-methoxy-4-propoxy-phenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[3-(diethylazaniumyl)propyl]-2-(3-methoxy-4-propoxy-phenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[3-(diethylammonio)propyl]-2-(3-methoxy-4-propoxy-phenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(diethylammonio)propyl]-2-(3-methoxy-4-propoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(diethylazaniumyl)propyl]-2-(3-methoxy-4-propoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[3-(diethylammonio)propyl]-2-keto-5-(3-methoxy-4-propoxy-phenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](CC)CC)[O-])C(=O)C3=CC=CS3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC[NH+](CC)CC)[O-])C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C26H34N2O5S/c1-5-15-33-19-12-11-18(17-20(19)32-4)23-22(24(29)21-10-8-16-34-21)25(30)26(31)28(23)14-9-13-27(6-2)7-3/h8,10-12,16-17,23,30H,5-7,9,13-15H2,1-4H3/t23-/m1/s1