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

Systemtic Name: (2R)-1-[2-(diethylazaniumyl)ethyl]-2-(3,4-dimethoxyphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[2-(diethylazaniumyl)ethyl]-2-(3,4-dimethoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[2-(diethylammonio)ethyl]-5-(3,4-dimethoxyphenyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C23H28N2O5S MolecularWeight: 444.54382

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-5-24(6-2)11-12-25-20(15-9-10-16(29-3)17(14-15)30-4)19(22(27)23(25)28)21(26)18-8-7-13-31-18/h7-10,13-14,20,27H,5-6,11-12H2,1-4H3/t20-/m1/s1