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

Systemtic Name: ethyl 2,2-bis(fluoranyl)-3-[2-(1H-imidazol-2-yl)-2-oxidanylidene-ethanethioyl]oxy-hexadecanoate Openeye Name: ethyl 2,2-difluoro-3-[2-(1H-imidazol-2-yl)-2-oxo-ethanethioyl]oxy-hexadecanoate CAS Name: 2,2-difluoro-3-[2-(1H-imidazol-2-yl)-2-oxo-1-sulfanylideneethoxy]hexadecanoic acid ethyl ester IUPAC Name: ethyl 2,2-difluoro-3-[2-(1H-imidazol-2-yl)-2-oxoethanethioyl]oxyhexadecanoate Traditional Name: 2,2-difluoro-3-[2-(1H-imidazol-2-yl)-2-keto-thioacetyl]oxy-palmitic acid ethyl ester Formula: C23H36F2N2O4S MolecularWeight: 474.604746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36F2N2O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-18(23(24,25)22(29)30-4-2)31-21(32)19(28)20-26-16-17-27-20/h16-18H,3-15H2,1-2H3,(H,26,27)