(1-cyanoindolizin-2-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(difluoromethylsulfanyl)benzoate CAS Name: 2-(difluoromethylthio)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(difluoromethylsulfanyl)benzoate Traditional Name: 2-(difluoromethylthio)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H12F2N2O2S MolecularWeight: 358.361886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)SC(F)F

InChI

InChI=1S/C18H12F2N2O2S/c19-18(20)25-16-7-2-1-5-13(16)17(23)24-11-12-10-22-8-4-3-6-15(22)14(12)9-21/h1-8,10,18H,11H2