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

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)propanoate Openeye Name: [1-methyl-3-oxido-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)propanoate CAS Name: 2-(2-ethylphenoxy)propanoic acid [1-methyl-3-oxido-3-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)propanoate Traditional Name: 2-(2-ethylphenoxy)propionic acid [1-methyl-3-oxido-3-[5-(propylthio)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C20H28N4O4S2 MolecularWeight: 452.59072

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=CC=C3CC)C)[O-]

Isomeric SMILES

CCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=CC=C3CC)C)[O-]

InChI

InChI=1S/C20H28N4O4S2/c1-5-11-29-20-22-21-19(30-20)24(26)13-23(4)12-17(24)28-18(25)14(3)27-16-10-8-7-9-15(16)6-2/h7-10,14,17H,5-6,11-13H2,1-4H3