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

Systemtic Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(4-methoxyphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[2-(dimethylammonio)ethyl]-2-(4-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[2-(dimethylammonio)ethyl]-2-(4-methoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(4-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[2-(dimethylammonio)ethyl]-2-keto-5-(4-methoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-21(2)10-11-22-17(13-6-8-14(26-3)9-7-13)16(19(24)20(22)25)18(23)15-5-4-12-27-15/h4-9,12,17,24H,10-11H2,1-3H3/t17-/m1/s1