[3-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-pent-4-enylphenoxy)propanoate

Systemtic Name: [3-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-pent-4-enylphenoxy)propanoate Openeye Name: [3-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-pent-4-enylphenoxy)propanoate CAS Name: 2-(4-pent-4-enylphenoxy)propanoic acid [3-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2-(4-pent-4-enylphenoxy)propanoate Traditional Name: 2-(4-pent-4-enylphenoxy)propionic acid [3-(5-ethylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C22H30N4O5S2 MolecularWeight: 494.6274

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=C(C=C3)CCCC=C)C)[O-]

Isomeric SMILES

CCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=C(C=C3)CCCC=C)C)[O-]

InChI

InChI=1S/C22H30N4O5S2/c1-5-7-8-9-17-10-12-18(13-11-17)30-16(3)20(27)31-19-14-25(4)15-26(19,28)21-23-24-22(32-21)33(29)6-2/h5,10-13,16,19H,1,6-9,14-15H2,2-4H3