ethyl 2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21N2O4S+ MolecularWeight: 409.47814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-3-28-22(27)20-18(16-8-5-4-6-9-16)14-29-21(20)23-19(26)13-24-11-7-10-17(12-24)15(2)25/h4-12,14H,3,13H2,1-2H3/p+1