[3-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2-methoxyethanoate

Systemtic Name: [3-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2-methoxyethanoate Openeye Name: [3-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [3-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: [3-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)-1-oxidoimidazolidin-1-ium-2-yl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [3-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](C1OC(=O)COC)(C2=NC3=C(C=CC=C3S2)OC)[O-]

Isomeric SMILES

CCN1CC[N+](C1OC(=O)COC)(C2=NC3=C(C=CC=C3S2)OC)[O-]

InChI

InChI=1S/C16H21N3O5S/c1-4-18-8-9-19(21,16(18)24-13(20)10-22-2)15-17-14-11(23-3)6-5-7-12(14)25-15/h5-7,16H,4,8-10H2,1-3H3