ethyl 4-(4-fluorophenyl)-2-[2-(4-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[2-(4-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H20FN2O3S+ MolecularWeight: 399.458503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C[N+]3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C[N+]3=CC=C(C=C3)C

InChI

InChI=1S/C21H19FN2O3S/c1-3-27-21(26)19-17(15-4-6-16(22)7-5-15)13-28-20(19)23-18(25)12-24-10-8-14(2)9-11-24/h4-11,13H,3,12H2,1-2H3/p+1