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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H21N2O4S+ MolecularWeight: 397.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-3-27-21(26)19-17(15-8-6-14(2)7-9-15)13-28-20(19)22-18(25)12-23-10-4-5-16(24)11-23/h4-11,13H,3,12H2,1-2H3,(H-,22,24,25,26)/p+1