ethyl 2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H21N2O4S+ MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H20N2O4S/c1-5-24-18(23)16-11(2)13(4)25-17(16)19-15(22)10-20-8-6-7-14(9-20)12(3)21/h6-9H,5,10H2,1-4H3/p+1