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

Systemtic Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-3-carboxylate Openeye Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(5-esyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H17N5O5S2 MolecularWeight: 399.44528

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CN=CC=C3)C)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CN=CC=C3)C)[O-]

InChI

InChI=1S/C14H17N5O5S2/c1-3-26(22,23)14-17-16-13(25-14)19(21)9-18(2)8-11(19)24-12(20)10-5-4-6-15-7-10/h4-7,11H,3,8-9H2,1-2H3