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

Systemtic Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-5-oxidanylidene-2-(4-propan-2-ylphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[2-(dimethylammonio)ethyl]-2-(4-isopropylphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[2-(dimethylammonio)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-5-oxo-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[2-(dimethylammonio)ethyl]-2-keto-5-p-cumenyl-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-14(2)15-7-9-16(10-8-15)19-18(20(25)17-6-5-13-28-17)21(26)22(27)24(19)12-11-23(3)4/h5-10,13-14,19,26H,11-12H2,1-4H3/t19-/m1/s1