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

Systemtic Name: [3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] 4-(furan-2-yl)butanoate Openeye Name: [1-allyl-3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-(2-furyl)butanoate CAS Name: 4-(2-furanyl)butanoic 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] 4-(furan-2-yl)butanoate Traditional Name: 4-(2-furyl)butyric acid [1-allyl-3-(5-mesyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H22N4O6S2 MolecularWeight: 442.50978

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCCC3=CC=CO3)CC=C)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCCC3=CC=CO3)CC=C)[O-]

InChI

InChI=1S/C17H22N4O6S2/c1-3-9-20-11-14(27-15(22)8-4-6-13-7-5-10-26-13)21(23,12-20)16-18-19-17(28-16)29(2,24)25/h3,5,7,10,14H,1,4,6,8-9,11-12H2,2H3