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

Systemtic Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(4-methylphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[2-(dimethylammonio)ethyl]-5-oxo-2-(p-tolyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[2-(dimethylammonio)ethyl]-2-(4-methylphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(4-methylphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[2-(dimethylammonio)ethyl]-2-keto-5-(p-tolyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O3S/c1-13-6-8-14(9-7-13)17-16(18(23)15-5-4-12-26-15)19(24)20(25)22(17)11-10-21(2)3/h4-9,12,17,24H,10-11H2,1-3H3/t17-/m1/s1