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

Systemtic Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] furan-2-carboxylate Openeye Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic 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] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-(5-esyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C13H16N4O6S2 MolecularWeight: 388.41934

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CO3)C)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CO3)C)[O-]

InChI

InChI=1S/C13H16N4O6S2/c1-3-25(20,21)13-15-14-12(24-13)17(19)8-16(2)7-10(17)23-11(18)9-5-4-6-22-9/h4-6,10H,3,7-8H2,1-2H3