[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-[(4-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-[(4-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-chlorophenyl)methylthio]acetic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-chlorobenzyl)thio]acetic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C13H13ClF3NO3S MolecularWeight: 355.76043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)OCC(=O)NCC(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)OCC(=O)NCC(F)(F)F)Cl

InChI

InChI=1S/C13H13ClF3NO3S/c14-10-3-1-9(2-4-10)6-22-7-12(20)21-5-11(19)18-8-13(15,16)17/h1-4H,5-8H2,(H,18,19)