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

Systemtic Name: (2S)-1-[2-(dimethylazaniumyl)ethyl]-5-oxidanylidene-2-pyridin-2-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[2-(dimethylammonio)ethyl]-5-oxo-2-(2-pyridyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[2-(dimethylammonio)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[2-(dimethylazaniumyl)ethyl]-5-oxo-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-[2-(dimethylammonio)ethyl]-2-keto-5-(2-pyridyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C18H19N3O3S MolecularWeight: 357.42676

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=CC=N3

Isomeric SMILES

C[NH+](C)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=CC=N3

InChI

InChI=1S/C18H19N3O3S/c1-20(2)9-10-21-15(12-6-3-4-8-19-12)14(17(23)18(21)24)16(22)13-7-5-11-25-13/h3-8,11,15,23H,9-10H2,1-2H3/t15-/m1/s1