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

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] benzoate 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] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic 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: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=CC=CC=C4)C)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)[N+]3(CN(CC3OC(=O)C4=CC=CC=C4)C)[O-])C

InChI

InChI=1S/C20H23N3O4S/c1-20(2)9-14-17(15(24)10-20)28-19(21-14)23(26)12-22(3)11-16(23)27-18(25)13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3