ethyl 1-ethyl-2-methyl-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(2-thienyl)ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(2-thienyl)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C19H21N2O3S+ MolecularWeight: 357.44664

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC=CS3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC=CS3)C

InChI

InChI=1S/C19H21N2O3S/c1-4-20-13(3)21(12-17(22)18-7-6-10-25-18)16-11-14(8-9-15(16)20)19(23)24-5-2/h6-11H,4-5,12H2,1-3H3/q+1