[3-(5-iodanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-pent-4-enyl-imidazolidin-3-ium-4-yl] 2-(3-pent-4-enylphenoxy)ethanoate

Systemtic Name: [3-(5-iodanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-pent-4-enyl-imidazolidin-3-ium-4-yl] 2-(3-pent-4-enylphenoxy)ethanoate Openeye Name: [3-(5-iodothiazol-2-yl)-3-oxido-1-pent-4-enyl-imidazolidin-3-ium-4-yl] 2-(3-pent-4-enylphenoxy)acetate CAS Name: 2-(3-pent-4-enylphenoxy)acetic acid [3-(5-iodo-2-thiazolyl)-3-oxido-1-pent-4-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-iodo-1,3-thiazol-2-yl)-3-oxido-1-pent-4-enylimidazolidin-3-ium-4-yl] 2-(3-pent-4-enylphenoxy)acetate Traditional Name: 2-(3-pent-4-enylphenoxy)acetic acid [3-(5-iodothiazol-2-yl)-3-oxido-1-pent-4-enyl-imidazolidin-3-ium-4-yl] ester Formula: C24H30IN3O4S MolecularWeight: 583.48217

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC1=CC(=CC=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)I)[O-])CCCC=C

Isomeric SMILES

C=CCCCC1=CC(=CC=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)I)[O-])CCCC=C

InChI

InChI=1S/C24H30IN3O4S/c1-3-5-7-10-19-11-9-12-20(14-19)31-17-23(29)32-22-16-27(13-8-6-4-2)18-28(22,30)24-26-15-21(25)33-24/h3-4,9,11-12,14-15,22H,1-2,5-8,10,13,16-18H2