[3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 5-ethylpyridine-2-carboxylate

Systemtic Name: [3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 5-ethylpyridine-2-carboxylate Openeye Name: [3-(5-ethylsulfonylthiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 5-ethylpyridine-2-carboxylate CAS Name: 5-ethyl-2-pyridinecarboxylic acid [3-(5-ethylsulfonyl-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 5-ethylpyridine-2-carboxylate Traditional Name: 5-ethylpicolinic acid [3-(5-esylthiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H22N4O5S2 MolecularWeight: 426.51038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CC)[O-])C

Isomeric SMILES

CCC1=CN=C(C=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CC)[O-])C

InChI

InChI=1S/C17H22N4O5S2/c1-4-12-6-7-13(18-8-12)16(22)26-14-10-20(3)11-21(14,23)17-19-9-15(27-17)28(24,25)5-2/h6-9,14H,4-5,10-11H2,1-3H3