[3-oxidanidyl-1-propyl-3-(5-propylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 3-fluoranylfuran-2-carboxylate

Systemtic Name: [3-oxidanidyl-1-propyl-3-(5-propylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 3-fluoranylfuran-2-carboxylate Openeye Name: [3-oxido-1-propyl-3-(5-propylsulfonylthiazol-2-yl)imidazolidin-3-ium-4-yl] 3-fluorofuran-2-carboxylate CAS Name: 3-fluoro-2-furancarboxylic acid [3-oxido-1-propyl-3-(5-propylsulfonyl-2-thiazolyl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-propyl-3-(5-propylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 3-fluorofuran-2-carboxylate Traditional Name: 3-fluorofuran-2-carboxylic acid [3-oxido-1-propyl-3-(5-propylsulfonylthiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C17H22FN3O6S2 MolecularWeight: 447.501483

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CCC)[O-])OC(=O)C3=C(C=CO3)F

Isomeric SMILES

CCCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CCC)[O-])OC(=O)C3=C(C=CO3)F

InChI

InChI=1S/C17H22FN3O6S2/c1-3-6-20-10-13(27-16(22)15-12(18)5-7-26-15)21(23,11-20)17-19-9-14(28-17)29(24,25)8-4-2/h5,7,9,13H,3-4,6,8,10-11H2,1-2H3