[1-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-1-oxidanidyl-3-prop-2-enyl-imidazolidin-1-ium-2-yl] ethanoate

Systemtic Name: [1-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-1-oxidanidyl-3-prop-2-enyl-imidazolidin-1-ium-2-yl] ethanoate Openeye Name: [3-allyl-1-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] acetate CAS Name: acetic acid [1-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-1-oxido-3-prop-2-enyl-2-imidazolidin-1-iumyl] ester IUPAC Name: [1-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-1-oxido-3-prop-2-enylimidazolidin-1-ium-2-yl] acetate Traditional Name: acetic acid [3-allyl-1-(5-mesyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C11H16N4O5S2 MolecularWeight: 348.39854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O5S2/c1-4-5-14-6-7-15(17,11(14)20-8(2)16)9-12-13-10(21-9)22(3,18)19/h4,11H,1,5-7H2,2-3H3