[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)benzoate CAS Name: 2-(difluoromethylthio)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate Traditional Name: 2-(difluoromethylthio)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12F2N2O3S MolecularWeight: 314.307786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NCCC#N)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NCCC#N)SC(F)F

InChI

InChI=1S/C13H12F2N2O3S/c14-13(15)21-10-5-2-1-4-9(10)12(19)20-8-11(18)17-7-3-6-16/h1-2,4-5,13H,3,7-8H2,(H,17,18)