ethyl 2-[2-(2-methylpyridin-1-ium-1-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-methylpyridin-1-ium-1-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[N+]3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[N+]3=CC=CC=C3C

InChI

InChI=1S/C21H20N2O3S/c1-3-26-21(25)17-13-18(16-10-5-4-6-11-16)27-20(17)22-19(24)14-23-12-8-7-9-15(23)2/h4-13H,3,14H2,1-2H3/p+1