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

Systemtic Name: [3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] 2-(3-prop-2-enylphenoxy)ethanoate Openeye Name: [1-allyl-3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(3-allylphenoxy)acetate CAS Name: 2-(3-prop-2-enylphenoxy)acetic acid [3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-enylimidazolidin-3-ium-4-yl] 2-(3-prop-2-enylphenoxy)acetate Traditional Name: 2-(3-allylphenoxy)acetic acid [1-allyl-3-(5-mesyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)COC3=CC=CC(=C3)CC=C)CC=C)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)COC3=CC=CC(=C3)CC=C)CC=C)[O-]

InChI

InChI=1S/C20H24N4O6S2/c1-4-7-15-8-6-9-16(11-15)29-13-18(25)30-17-12-23(10-5-2)14-24(17,26)19-21-22-20(31-19)32(3,27)28/h4-6,8-9,11,17H,1-2,7,10,12-14H2,3H3