[3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-pent-4-enyl-imidazolidin-3-ium-4-yl] 2-(2-ethoxyphenoxy)ethanoate

Systemtic Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-pent-4-enyl-imidazolidin-3-ium-4-yl] 2-(2-ethoxyphenoxy)ethanoate Openeye Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pent-4-enyl-imidazolidin-3-ium-4-yl] 2-(2-ethoxyphenoxy)acetate CAS Name: 2-(2-ethoxyphenoxy)acetic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pent-4-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pent-4-enylimidazolidin-3-ium-4-yl] 2-(2-ethoxyphenoxy)acetate Traditional Name: 2-(2-ethoxyphenoxy)acetic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pent-4-enyl-imidazolidin-3-ium-4-yl] ester Formula: C26H36N4O5S MolecularWeight: 516.65284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CCCCC4)[O-])CCCC=C

Isomeric SMILES

CCOC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CCCCC4)[O-])CCCC=C

InChI

InChI=1S/C26H36N4O5S/c1-3-5-11-16-29-17-23(35-24(31)18-34-22-15-10-9-14-21(22)33-4-2)30(32,19-29)26-28-27-25(36-26)20-12-7-6-8-13-20/h3,9-10,14-15,20,23H,1,4-8,11-13,16-19H2,2H3