[3-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate

Systemtic Name: [3-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate Openeye Name: [3-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] acetate CAS Name: acetic acid [3-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] acetate Traditional Name: acetic acid [3-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN(C[N+]1(C2=NC3=C(S2)C(=O)CC(C3)(C)C)[O-])C

Isomeric SMILES

CC(=O)OC1CN(C[N+]1(C2=NC3=C(S2)C(=O)CC(C3)(C)C)[O-])C

InChI

InChI=1S/C15H21N3O4S/c1-9(19)22-12-7-17(4)8-18(12,21)14-16-10-5-15(2,3)6-11(20)13(10)23-14/h12H,5-8H2,1-4H3