[3-(5-ethoxy-1,3-benzothiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxidanidyl-imidazolidin-3-ium-4-yl] 5-chloranylfuran-3-carboxylate

Systemtic Name: [3-(5-ethoxy-1,3-benzothiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxidanidyl-imidazolidin-3-ium-4-yl] 5-chloranylfuran-3-carboxylate Openeye Name: [3-(5-ethoxy-1,3-benzothiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxido-imidazolidin-3-ium-4-yl] 5-chlorofuran-3-carboxylate CAS Name: 5-chloro-3-furancarboxylic acid [3-(5-ethoxy-1,3-benzothiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-ethoxy-1,3-benzothiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxidoimidazolidin-3-ium-4-yl] 5-chlorofuran-3-carboxylate Traditional Name: 5-chlorofuran-3-carboxylic acid [3-(5-ethoxy-1,3-benzothiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=COC(=C4)Cl)CCCC=CC)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=COC(=C4)Cl)CCC/C=C/C)[O-]

InChI

InChI=1S/C23H26ClN3O5S/c1-3-5-6-7-10-26-13-21(32-22(28)16-11-20(24)31-14-16)27(29,15-26)23-25-18-12-17(30-4-2)8-9-19(18)33-23/h3,5,8-9,11-12,14,21H,4,6-7,10,13,15H2,1-2H3/b5-3+