[1-but-3-enyl-3-[6-(chloromethyl)-1,3-benzothiazol-2-yl]-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylfuran-3-carboxylate

Systemtic Name: [1-but-3-enyl-3-[6-(chloromethyl)-1,3-benzothiazol-2-yl]-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylfuran-3-carboxylate Openeye Name: [1-but-3-enyl-3-[6-(chloromethyl)-1,3-benzothiazol-2-yl]-3-oxido-imidazolidin-3-ium-4-yl] 4-bromofuran-3-carboxylate CAS Name: 4-bromo-3-furancarboxylic acid [1-but-3-enyl-3-[6-(chloromethyl)-1,3-benzothiazol-2-yl]-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-but-3-enyl-3-[6-(chloromethyl)-1,3-benzothiazol-2-yl]-3-oxidoimidazolidin-3-ium-4-yl] 4-bromofuran-3-carboxylate Traditional Name: 4-bromofuran-3-carboxylic acid [1-but-3-enyl-3-[6-(chloromethyl)-1,3-benzothiazol-2-yl]-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H19BrClN3O4S MolecularWeight: 512.80456

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)CCl)[O-])OC(=O)C4=COC=C4Br

Isomeric SMILES

C=CCCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)CCl)[O-])OC(=O)C4=COC=C4Br

InChI

InChI=1S/C20H19BrClN3O4S/c1-2-3-6-24-9-18(29-19(26)14-10-28-11-15(14)21)25(27,12-24)20-23-16-5-4-13(8-22)7-17(16)30-20/h2,4-5,7,10-11,18H,1,3,6,8-9,12H2