(2R)-2-(3,4-diethoxyphenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-2-(3,4-diethoxyphenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(3,4-diethoxyphenyl)-1-[2-(diethylammonio)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-2-(3,4-diethoxyphenyl)-1-[2-(diethylammonio)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-2-(3,4-diethoxyphenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(3,4-diethoxyphenyl)-1-[2-(diethylammonio)ethyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC(=C(C=C3)OCC)OCC

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC(=C(C=C3)OCC)OCC

InChI

InChI=1S/C25H32N2O5S/c1-5-26(6-2)13-14-27-22(17-11-12-18(31-7-3)19(16-17)32-8-4)21(24(29)25(27)30)23(28)20-10-9-15-33-20/h9-12,15-16,22,29H,5-8,13-14H2,1-4H3/t22-/m1/s1