ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-5-26-18(25)14-11(2)15(17(24)20(3)4)27-16(14)19-13(23)10-21-8-6-7-12(22)9-21/h6-9H,5,10H2,1-4H3,(H-,19,22,23,24,25)/p+1