[1-(chloromethyl)-3-(5-fluoranyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylpyridine-2-carboxylate

Systemtic Name: [1-(chloromethyl)-3-(5-fluoranyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylpyridine-2-carboxylate Openeye Name: [1-(chloromethyl)-3-(5-fluoro-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-bromopyridine-2-carboxylate CAS Name: 4-bromo-2-pyridinecarboxylic acid [1-(chloromethyl)-3-(5-fluoro-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-(chloromethyl)-3-(5-fluoro-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-bromopyridine-2-carboxylate Traditional Name: 4-bromopicolinic acid [1-(chloromethyl)-3-(5-fluoro-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H13BrClFN4O3S MolecularWeight: 487.730523

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Descriptors Computed from Structure

Canonical SMILES:

C1C([N+](CN1CCl)(C2=NC3=C(S2)C=CC(=C3)F)[O-])OC(=O)C4=NC=CC(=C4)Br

Isomeric SMILES

C1C([N+](CN1CCl)(C2=NC3=C(S2)C=CC(=C3)F)[O-])OC(=O)C4=NC=CC(=C4)Br

InChI

InChI=1S/C17H13BrClFN4O3S/c18-10-3-4-21-13(5-10)16(25)27-15-7-23(8-19)9-24(15,26)17-22-12-6-11(20)1-2-14(12)28-17/h1-6,15H,7-9H2