[2-(2-bromoethyl)-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] furan-3-carboxylate

Systemtic Name: [2-(2-bromoethyl)-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] furan-3-carboxylate Openeye Name: [2-(2-bromoethyl)-3-(5-methylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] furan-3-carboxylate CAS Name: 3-furancarboxylic acid [2-(2-bromoethyl)-3-(5-methylsulfonyl-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [2-(2-bromoethyl)-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] furan-3-carboxylate Traditional Name: furan-3-carboxylic acid [2-(2-bromoethyl)-3-(5-mesylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H16BrN3O6S2 MolecularWeight: 466.32734

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(S1)[N+]2(C(CNC2CCBr)OC(=O)C3=COC=C3)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CN=C(S1)[N+]2(C(CNC2CCBr)OC(=O)C3=COC=C3)[O-]

InChI

InChI=1S/C14H16BrN3O6S2/c1-26(21,22)12-7-17-14(25-12)18(20)10(2-4-15)16-6-11(18)24-13(19)9-3-5-23-8-9/h3,5,7-8,10-11,16H,2,4,6H2,1H3