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

Systemtic Name: (2S)-1-[3-(dimethylazaniumyl)propyl]-2-(furan-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[3-(dimethylammonio)propyl]-2-(2-furyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(dimethylammonio)propyl]-2-(2-furanyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[3-(dimethylazaniumyl)propyl]-2-(furan-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-[3-(dimethylammonio)propyl]-5-(2-furyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=CO3

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=CO3

InChI

InChI=1S/C18H20N2O4S/c1-19(2)8-5-9-20-15(12-6-3-10-24-12)14(17(22)18(20)23)16(21)13-7-4-11-25-13/h3-4,6-7,10-11,15,22H,5,8-9H2,1-2H3/t15-/m1/s1