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

Systemtic Name: [1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-ethoxybenzoate Openeye Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C16H17F3N4O4S MolecularWeight: 418.39079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

InChI

InChI=1S/C16H17F3N4O4S/c1-3-26-11-6-4-10(5-7-11)13(24)27-12-8-22(2)9-23(12,25)15-21-20-14(28-15)16(17,18)19/h4-7,12H,3,8-9H2,1-2H3