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

Systemtic Name: [5-acetyloxy-3-methyl-1-(5-methyl-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-4-yl] ethanoate Openeye Name: [5-acetoxy-3-methyl-1-(5-methyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-oxido-imidazolidin-1-ium-4-yl] acetate CAS Name: acetic acid [5-acetyloxy-3-methyl-1-(5-methyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-oxido-4-imidazolidin-1-iumyl] ester IUPAC Name: [5-acetyloxy-3-methyl-1-(5-methyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-oxidoimidazolidin-1-ium-4-yl] acetate Traditional Name: acetic acid [5-acetoxy-1-(7-keto-5-methyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-4-yl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=O)C1)SC(=N2)[N+]3(CN(C(C3OC(=O)C)OC(=O)C)C)[O-]

Isomeric SMILES

CC1CC2=C(C(=O)C1)SC(=N2)[N+]3(CN(C(C3OC(=O)C)OC(=O)C)C)[O-]

InChI

InChI=1S/C16H21N3O6S/c1-8-5-11-13(12(22)6-8)26-16(17-11)19(23)7-18(4)14(24-9(2)20)15(19)25-10(3)21/h8,14-15H,5-7H2,1-4H3