(1-oxidanidylpyridin-1-ium-2-yl) 3-ethyl-2-(methylamino)-2H-1,3-thiazole-5-carboxylate

Systemtic Name: (1-oxidanidylpyridin-1-ium-2-yl) 3-ethyl-2-(methylamino)-2H-1,3-thiazole-5-carboxylate Openeye Name: (1-oxidopyridin-1-ium-2-yl) 3-ethyl-2-(methylamino)-2H-thiazole-5-carboxylate CAS Name: 3-ethyl-2-(methylamino)-2H-thiazole-5-carboxylic acid (1-oxido-2-pyridin-1-iumyl) ester IUPAC Name: (1-oxidopyridin-1-ium-2-yl) 3-ethyl-2-(methylamino)-2H-1,3-thiazole-5-carboxylate Traditional Name: 3-ethyl-2-(methylamino)-4-thiazoline-5-carboxylic acid (1-oxidopyridin-1-ium-2-yl) ester Formula: C12H15N3O3S MolecularWeight: 281.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(SC1NC)C(=O)OC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCN1C=C(SC1NC)C(=O)OC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C12H15N3O3S/c1-3-14-8-9(19-12(14)13-2)11(16)18-10-6-4-5-7-15(10)17/h4-8,12-13H,3H2,1-2H3