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

Systemtic Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] 3-ethoxypropanoate Openeye Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] 3-ethoxypropanoate CAS Name: 3-ethoxypropanoic acid [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxidoimidazolidin-1-ium-2-yl] 3-ethoxypropanoate Traditional Name: 3-ethoxypropionic acid [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)OC1N(CC[N+]1(C2=NN=C(S2)C)[O-])C

Isomeric SMILES

CCOCCC(=O)OC1N(CC[N+]1(C2=NN=C(S2)C)[O-])C

InChI

InChI=1S/C12H20N4O4S/c1-4-19-8-5-10(17)20-12-15(3)6-7-16(12,18)11-14-13-9(2)21-11/h12H,4-8H2,1-3H3