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

Systemtic Name: (2S)-1-[2-(dimethylazaniumyl)ethyl]-2-(furan-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[2-(dimethylammonio)ethyl]-2-(2-furyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[2-(dimethylammonio)ethyl]-2-(2-furanyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[2-(dimethylazaniumyl)ethyl]-2-(furan-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-[2-(dimethylammonio)ethyl]-5-(2-furyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C17H18N2O4S MolecularWeight: 346.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=CO3

Isomeric SMILES

C[NH+](C)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=CO3

InChI

InChI=1S/C17H18N2O4S/c1-18(2)7-8-19-14(11-5-3-9-23-11)13(16(21)17(19)22)15(20)12-6-4-10-24-12/h3-6,9-10,14,21H,7-8H2,1-2H3/t14-/m1/s1