[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylthiophene-2-carboxylate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylthiophene-2-carboxylate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-bromothiophene-2-carboxylate CAS Name: 4-bromo-2-thiophenecarboxylic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-bromothiophene-2-carboxylate Traditional Name: 4-bromothiophene-2-carboxylic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H14BrN3O3S2 MolecularWeight: 440.33466

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=CC(=CS4)Br

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=CC(=CS4)Br

InChI

InChI=1S/C16H14BrN3O3S2/c1-19-7-14(23-15(21)13-6-10(17)8-24-13)20(22,9-19)16-18-11-4-2-3-5-12(11)25-16/h2-6,8,14H,7,9H2,1H3