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

Systemtic Name: [1-methyl-3-(5-methyl-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate Openeye Name: [1-methyl-3-(5-methyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] acetate CAS Name: acetic acid [1-methyl-3-(5-methyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-(5-methyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] acetate Traditional Name: acetic acid [3-(7-keto-5-methyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=O)C1)SC(=N2)[N+]3(CN(CC3OC(=O)C)C)[O-]

Isomeric SMILES

CC1CC2=C(C(=O)C1)SC(=N2)[N+]3(CN(CC3OC(=O)C)C)[O-]

InChI

InChI=1S/C14H19N3O4S/c1-8-4-10-13(11(19)5-8)22-14(15-10)17(20)7-16(3)6-12(17)21-9(2)18/h8,12H,4-7H2,1-3H3