[3-ethyl-1-oxidanidyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] 2-propoxyethanoate

Systemtic Name: [3-ethyl-1-oxidanidyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] 2-propoxyethanoate Openeye Name: [3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] 2-propoxyacetate CAS Name: 2-propoxyacetic acid [3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-imidazolidin-1-iumyl] ester IUPAC Name: [3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] 2-propoxyacetate Traditional Name: 2-propoxyacetic acid [3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] ester Formula: C13H19F3N4O4S MolecularWeight: 384.37457

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(=O)OC1N(CC[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])CC

Isomeric SMILES

CCCOCC(=O)OC1N(CC[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])CC

InChI

InChI=1S/C13H19F3N4O4S/c1-3-7-23-8-9(21)24-12-19(4-2)5-6-20(12,22)11-18-17-10(25-11)13(14,15)16/h12H,3-8H2,1-2H3