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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC=CS3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@@H]2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C23H28N2O5S/c1-5-12-30-16-9-8-15(14-17(16)29-4)20-19(21(26)18-7-6-13-31-18)22(27)23(28)25(20)11-10-24(2)3/h6-9,13-14,20,27H,5,10-12H2,1-4H3/t20-/m1/s1