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

Systemtic Name: [1-ethyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)ethanoate Openeye Name: [1-ethyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)acetate CAS Name: 2-(2-ethylphenoxy)acetic acid [1-ethyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-ethyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)acetate Traditional Name: 2-(2-ethylphenoxy)acetic acid [1-ethyl-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H26N4O4S MolecularWeight: 406.49914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)CC)[O-])CC

Isomeric SMILES

CCC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)CC)[O-])CC

InChI

InChI=1S/C19H26N4O4S/c1-4-14-9-7-8-10-15(14)26-12-18(24)27-17-11-22(6-3)13-23(17,25)19-21-20-16(5-2)28-19/h7-10,17H,4-6,11-13H2,1-3H3