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

Systemtic Name: [3-(5-iodanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 4-(furan-2-yl)butanoate Openeye Name: [3-(5-iodothiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 4-(2-furyl)butanoate CAS Name: 4-(2-furanyl)butanoic 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] 4-(furan-2-yl)butanoate Traditional Name: 4-(2-furyl)butyric acid [3-(5-iodothiazol-2-yl)-3-oxido-1-propargyl-imidazolidin-3-ium-4-yl] ester Formula: C17H18IN3O4S MolecularWeight: 487.31199

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC([N+](C1)(C2=NC=C(S2)I)[O-])OC(=O)CCCC3=CC=CO3

Isomeric SMILES

C#CCN1CC([N+](C1)(C2=NC=C(S2)I)[O-])OC(=O)CCCC3=CC=CO3

InChI

InChI=1S/C17H18IN3O4S/c1-2-8-20-11-15(21(23,12-20)17-19-10-14(18)26-17)25-16(22)7-3-5-13-6-4-9-24-13/h1,4,6,9-10,15H,3,5,7-8,11-12H2