(2S)-1-[3-(dimethylazaniumyl)propyl]-2-(5-methylfuran-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-[3-(dimethylazaniumyl)propyl]-2-(5-methylfuran-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[3-(dimethylammonio)propyl]-2-(5-methyl-2-furyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(dimethylammonio)propyl]-2-(5-methyl-2-furanyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[3-(dimethylazaniumyl)propyl]-2-(5-methylfuran-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-[3-(dimethylammonio)propyl]-2-keto-5-(5-methyl-2-furyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(O1)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C19H22N2O4S/c1-12-7-8-13(25-12)16-15(17(22)14-6-4-11-26-14)18(23)19(24)21(16)10-5-9-20(2)3/h4,6-8,11,16,23H,5,9-10H2,1-3H3/t16-/m1/s1