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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H]2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC=CS3)OCC

InChI

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