ethyl 2-(5-ethoxy-1-oxidanidyl-pyridin-1-ium-3-yl)-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-(5-ethoxy-1-oxidanidyl-pyridin-1-ium-3-yl)-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-(5-ethoxy-1-oxido-pyridin-1-ium-3-yl)thiazole-4-carboxylate CAS Name: 2-(5-ethoxy-1-oxido-3-pyridin-1-iumyl)-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-ethoxy-1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(5-ethoxy-1-oxido-pyridin-1-ium-3-yl)thiazole-4-carboxylic acid ethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C[N+](=CC(=C1)C2=NC(=CS2)C(=O)OCC)[O-]

Isomeric SMILES

CCOC1=C[N+](=CC(=C1)C2=NC(=CS2)C(=O)OCC)[O-]

InChI

InChI=1S/C13H14N2O4S/c1-3-18-10-5-9(6-15(17)7-10)12-14-11(8-20-12)13(16)19-4-2/h5-8H,3-4H2,1-2H3