[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H11F3N2O3S MolecularWeight: 332.29825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)SC(F)(F)F

InChI

InChI=1S/C13H11F3N2O3S/c14-13(15,16)22-10-4-2-9(3-5-10)12(20)21-8-11(19)18-7-1-6-17/h2-5H,1,7-8H2,(H,18,19)