[3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-chloranylfuran-2-carboxylate

Systemtic Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-chloranylfuran-2-carboxylate Openeye Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dimethylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-yl] 3-chlorofuran-2-carboxylate CAS Name: 3-chloro-2-furancarboxylic acid [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 3-chlorofuran-2-carboxylate Traditional Name: 3-chlorofuran-2-carboxylic acid [3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dimethylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H21ClN4O4S MolecularWeight: 436.91244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)N1CC([N+](C1)(C2=NN=C(S2)C3CCC3)[O-])OC(=O)C4=C(C=CO4)Cl

Isomeric SMILES

CC(C)(C#C)N1CC([N+](C1)(C2=NN=C(S2)C3CCC3)[O-])OC(=O)C4=C(C=CO4)Cl

InChI

InChI=1S/C19H21ClN4O4S/c1-4-19(2,3)23-10-14(28-17(25)15-13(20)8-9-27-15)24(26,11-23)18-22-21-16(29-18)12-6-5-7-12/h1,8-9,12,14H,5-7,10-11H2,2-3H3