ethyl 2,2-bis(fluoranyl)-3-[2-(1H-imidazol-2-yl)-2-oxidanylidene-ethanethioyl]oxy-tetradecanoate

Systemtic Name: ethyl 2,2-bis(fluoranyl)-3-[2-(1H-imidazol-2-yl)-2-oxidanylidene-ethanethioyl]oxy-tetradecanoate Openeye Name: ethyl 2,2-difluoro-3-[2-(1H-imidazol-2-yl)-2-oxo-ethanethioyl]oxy-tetradecanoate CAS Name: 2,2-difluoro-3-[2-(1H-imidazol-2-yl)-2-oxo-1-sulfanylideneethoxy]tetradecanoic acid ethyl ester IUPAC Name: ethyl 2,2-difluoro-3-[2-(1H-imidazol-2-yl)-2-oxoethanethioyl]oxytetradecanoate Traditional Name: 2,2-difluoro-3-[2-(1H-imidazol-2-yl)-2-keto-thioacetyl]oxy-myristic acid ethyl ester Formula: C21H32F2N2O4S MolecularWeight: 446.551586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C(=O)OCC)(F)F)OC(=S)C(=O)C1=NC=CN1

Isomeric SMILES

CCCCCCCCCCCC(C(C(=O)OCC)(F)F)OC(=S)C(=O)C1=NC=CN1

InChI

InChI=1S/C21H32F2N2O4S/c1-3-5-6-7-8-9-10-11-12-13-16(21(22,23)20(27)28-4-2)29-19(30)17(26)18-24-14-15-25-18/h14-16H,3-13H2,1-2H3,(H,24,25)