[1-methyl-3-oxidanidyl-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-ethoxyphenoxy)propanoate

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-ethoxyphenoxy)propanoate Openeye Name: [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-ethoxyphenoxy)propanoate CAS Name: 2-(2-ethoxyphenoxy)propanoic acid [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-ethoxyphenoxy)propanoate Traditional Name: 2-(2-ethoxyphenoxy)propionic acid [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C20H28N4O6S2 MolecularWeight: 484.58952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=CC=C3OCC)C)[O-]

Isomeric SMILES

CCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=CC=C3OCC)C)[O-]

InChI

InChI=1S/C20H28N4O6S2/c1-5-11-32(27)20-22-21-19(31-20)24(26)13-23(4)12-17(24)30-18(25)14(3)29-16-10-8-7-9-15(16)28-6-2/h7-10,14,17H,5-6,11-13H2,1-4H3