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

Systemtic Name: ethyl 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H23N4O5S+ MolecularWeight: 419.47472

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-5-28-19(27)14-11(2)15(18(26)22(3)4)29-17(14)21-13(24)10-23-8-6-7-12(9-23)16(20)25/h6-9H,5,10H2,1-4H3,(H2-,20,21,24,25,26,27)/p+1