[3-(5-iodanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-(4-methoxyphenoxy)ethanoate

Systemtic Name: [3-(5-iodanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-(4-methoxyphenoxy)ethanoate Openeye Name: [3-(5-iodothiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-(4-methoxyphenoxy)acetate CAS Name: 2-(4-methoxyphenoxy)acetic acid [3-(5-iodo-2-thiazolyl)-3-oxido-1-prop-2-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-iodo-1,3-thiazol-2-yl)-3-oxido-1-prop-2-ynylimidazolidin-3-ium-4-yl] 2-(4-methoxyphenoxy)acetate Traditional Name: 2-(4-methoxyphenoxy)acetic acid [3-(5-iodothiazol-2-yl)-3-oxido-1-propargyl-imidazolidin-3-ium-4-yl] ester Formula: C18H18IN3O5S MolecularWeight: 515.32209

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)I)[O-])CC#C

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)I)[O-])CC#C

InChI

InChI=1S/C18H18IN3O5S/c1-3-8-21-10-16(22(24,12-21)18-20-9-15(19)28-18)27-17(23)11-26-14-6-4-13(25-2)5-7-14/h1,4-7,9,16H,8,10-12H2,2H3