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

Systemtic Name: [3-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(2-butylphenoxy)propanoate Openeye Name: [3-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(2-butylphenoxy)propanoate CAS Name: 2-(2-butylphenoxy)propanoic acid [3-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2-(2-butylphenoxy)propanoate Traditional Name: 2-(2-butylphenoxy)propionic acid [3-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C23H34N4O4S2 MolecularWeight: 494.67046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1OC(C)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)SCCCC)[O-])C

Isomeric SMILES

CCCCC1=CC=CC=C1OC(C)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)SCCCC)[O-])C

InChI

InChI=1S/C23H34N4O4S2/c1-5-7-11-18-12-9-10-13-19(18)30-17(3)21(28)31-20-15-26(4)16-27(20,29)22-24-25-23(33-22)32-14-8-6-2/h9-10,12-13,17,20H,5-8,11,14-16H2,1-4H3