6-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,6-benzothiazocin-5-one

Systemtic Name: 6-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,6-benzothiazocin-5-one Openeye Name: 6-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,6-benzothiazocin-5-one CAS Name: 6-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-2H-1,6-benzothiazocin-5-one IUPAC Name: 6-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,6-benzothiazocin-5-one Traditional Name: 6-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,6-benzothiazocin-5-one Formula: C12H10F3NO2S MolecularWeight: 289.27351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C2=CC=CC=C2SC1)C(=O)C(F)(F)F

Isomeric SMILES

C1CC(=O)N(C2=CC=CC=C2SC1)C(=O)C(F)(F)F

InChI

InChI=1S/C12H10F3NO2S/c13-12(14,15)11(18)16-8-4-1-2-5-9(8)19-7-3-6-10(16)17/h1-2,4-5H,3,6-7H2