7-methyl-2-[1,1,1-tris(fluoranyl)-3-oxidanyl-propan-2-yl]-1,2-benzothiazol-3-one

Systemtic Name: 7-methyl-2-[1,1,1-tris(fluoranyl)-3-oxidanyl-propan-2-yl]-1,2-benzothiazol-3-one Openeye Name: 7-methyl-2-[2,2,2-trifluoro-1-(hydroxymethyl)ethyl]-1,2-benzothiazol-3-one CAS Name: 7-methyl-2-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,2-benzothiazol-3-one IUPAC Name: 7-methyl-2-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,2-benzothiazol-3-one Traditional Name: 7-methyl-2-(2,2,2-trifluoro-1-methylol-ethyl)-1,2-benzothiazol-3-one Formula: C11H10F3NO2S MolecularWeight: 277.26281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SN(C2=O)C(CO)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1SN(C2=O)C(CO)C(F)(F)F

InChI

InChI=1S/C11H10F3NO2S/c1-6-3-2-4-7-9(6)18-15(10(7)17)8(5-16)11(12,13)14/h2-4,8,16H,5H2,1H3