[3-(5-bromanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-pent-4-enyl-imidazolidin-3-ium-4-yl] 4-bromanylthiophene-2-carboxylate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-pent-4-enyl-imidazolidin-3-ium-4-yl] 4-bromanylthiophene-2-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-3-oxido-1-pent-4-enyl-imidazolidin-3-ium-4-yl] 4-bromothiophene-2-carboxylate CAS Name: 4-bromo-2-thiophenecarboxylic acid [3-(5-bromo-2-thiazolyl)-3-oxido-1-pent-4-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-3-oxido-1-pent-4-enylimidazolidin-3-ium-4-yl] 4-bromothiophene-2-carboxylate Traditional Name: 4-bromothiophene-2-carboxylic acid [3-(5-bromothiazol-2-yl)-3-oxido-1-pent-4-enyl-imidazolidin-3-ium-4-yl] ester Formula: C16H17Br2N3O3S2 MolecularWeight: 523.26248

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=CC(=CS3)Br

Isomeric SMILES

C=CCCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=CC(=CS3)Br

InChI

InChI=1S/C16H17Br2N3O3S2/c1-2-3-4-5-20-8-14(24-15(22)12-6-11(17)9-25-12)21(23,10-20)16-19-7-13(18)26-16/h2,6-7,9,14H,1,3-5,8,10H2