ethyl 2-acetamido-4-pyridin-1-ium-3-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-4-pyridin-1-ium-3-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-4-pyridin-1-ium-3-yl-thiophene-3-carboxylate CAS Name: 2-acetamido-4-(3-pyridin-1-iumyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-4-pyridin-1-ium-3-ylthiophene-3-carboxylate Traditional Name: 2-acetamido-4-pyridin-1-ium-3-yl-thiophene-3-carboxylic acid ethyl ester Formula: C14H15N2O3S+ MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C[NH+]=CC=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C[NH+]=CC=C2)NC(=O)C

InChI

InChI=1S/C14H14N2O3S/c1-3-19-14(18)12-11(10-5-4-6-15-7-10)8-20-13(12)16-9(2)17/h4-8H,3H2,1-2H3,(H,16,17)/p+1