[1-ethyl-3-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-ethylfuran-2-carboxylate

Systemtic Name: [1-ethyl-3-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-ethylfuran-2-carboxylate Openeye Name: [1-ethyl-3-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-ethylfuran-2-carboxylate CAS Name: 4-ethyl-2-furancarboxylic acid [1-ethyl-3-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-ethyl-3-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-ethylfuran-2-carboxylate Traditional Name: 4-ethylfuran-2-carboxylic acid [1-ethyl-3-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)[N+]3(CN(CC3OC(=O)C4=CC(=CO4)CC)CC)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)[N+]3(CN(CC3OC(=O)C4=CC(=CO4)CC)CC)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-4-14-7-8-16-18(10-14)29-21(22-16)24(26)13-23(6-3)11-19(24)28-20(25)17-9-15(5-2)12-27-17/h7-10,12,19H,4-6,11,13H2,1-3H3