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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H18ClN2O4S+ MolecularWeight: 417.88592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4S/c1-2-27-20(26)18-16(13-5-7-14(21)8-6-13)12-28-19(18)22-17(25)11-23-9-3-4-15(24)10-23/h3-10,12H,2,11H2,1H3,(H-,22,24,25,26)/p+1