[1-ethyl-3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)ethanoate

Systemtic Name: [1-ethyl-3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)ethanoate Openeye Name: [1-ethyl-3-(5-ethylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)acetate CAS Name: 2-(2-ethylphenoxy)acetic acid [1-ethyl-3-(5-ethylsulfonyl-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-ethyl-3-(5-ethylsulfonyl-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 2-(2-ethylphenoxy)acetate Traditional Name: 2-(2-ethylphenoxy)acetic acid [3-(5-esylthiazol-2-yl)-1-ethyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CC)[O-])CC

Isomeric SMILES

CCC1=CC=CC=C1OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)S(=O)(=O)CC)[O-])CC

InChI

InChI=1S/C20H27N3O6S2/c1-4-15-9-7-8-10-16(15)28-13-18(24)29-17-12-22(5-2)14-23(17,25)20-21-11-19(30-20)31(26,27)6-3/h7-11,17H,4-6,12-14H2,1-3H3