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

Systemtic Name: ethyl 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-4-24-17(23)14-10(2)11(3)25-16(14)19-13(21)9-20-7-5-6-12(8-20)15(18)22/h5-8H,4,9H2,1-3H3,(H2-,18,19,21,22,23)/p+1