2-[3-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-2,4,5-tris(oxidanylidene)imidazolidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-2,4,5-tris(oxidanylidene)imidazolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-2,4,5-trioxo-imidazolidin-1-ium-1-yl]acetate CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-2,4,5-trioxo-1-imidazolidin-1-iumyl]acetate IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-2,4,5-trioxoimidazolidin-1-ium-1-yl]acetate Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-2,4,5-triketo-imidazolidin-1-ium-1-yl]acetate Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)C(=O)N(C1=O)CC2=NC3=CC=CC=C3S2)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C(=O)C(=O)N(C1=O)CC2=NC3=CC=CC=C3S2)CC(=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-2-18(8-12(19)20)14(22)13(21)17(15(18)23)7-11-16-9-5-3-4-6-10(9)24-11/h3-6H,2,7-8H2,1H3