[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,6-bis(fluoranyl)benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H15F2NO3S MolecularWeight: 351.367706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C17H15F2NO3S/c18-13-7-4-8-14(19)16(13)17(22)23-11-15(21)20-9-10-24-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,21)