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

Systemtic Name: [3-(5-fluoranyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] 2-(3-prop-2-enylphenoxy)ethanoate Openeye Name: [1-allyl-3-(5-fluorothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(3-allylphenoxy)acetate CAS Name: 2-(3-prop-2-enylphenoxy)acetic acid [3-(5-fluoro-2-thiazolyl)-3-oxido-1-prop-2-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-fluoro-1,3-thiazol-2-yl)-3-oxido-1-prop-2-enylimidazolidin-3-ium-4-yl] 2-(3-prop-2-enylphenoxy)acetate Traditional Name: 2-(3-allylphenoxy)acetic acid [1-allyl-3-(5-fluorothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H22FN3O4S MolecularWeight: 419.469783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=CC=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)F)[O-])CC=C

Isomeric SMILES

C=CCC1=CC(=CC=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)F)[O-])CC=C

InChI

InChI=1S/C20H22FN3O4S/c1-3-6-15-7-5-8-16(10-15)27-13-19(25)28-18-12-23(9-4-2)14-24(18,26)20-22-11-17(21)29-20/h3-5,7-8,10-11,18H,1-2,6,9,12-14H2