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

Systemtic Name: [1-ethyl-3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-iodanylfuran-2-carboxylate Openeye Name: [1-ethyl-3-(5-ethylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 3-iodofuran-2-carboxylate CAS Name: 3-iodo-2-furancarboxylic acid [1-ethyl-3-(5-ethylsulfonyl-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-ethyl-3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 3-iodofuran-2-carboxylate Traditional Name: 3-iodofuran-2-carboxylic acid [3-(5-esylthiazol-2-yl)-1-ethyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H18IN3O6S2 MolecularWeight: 527.35439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CC)[O-])OC(=O)C3=C(C=CO3)I

Isomeric SMILES

CCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CC)[O-])OC(=O)C3=C(C=CO3)I

InChI

InChI=1S/C15H18IN3O6S2/c1-3-18-8-11(25-14(20)13-10(16)5-6-24-13)19(21,9-18)15-17-7-12(26-15)27(22,23)4-2/h5-7,11H,3-4,8-9H2,1-2H3