[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl 2-phenylethanoate

Systemtic Name: [4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl 2-phenylethanoate Openeye Name: (4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl 2-phenylacetate CAS Name: 2-phenylacetic acid (4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl ester IUPAC Name: (4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl 2-phenylacetate Traditional Name: 2-phenylacetic acid (4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl ester Formula: C16H10F3NO2S MolecularWeight: 337.31631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OCC2=NC3=C(C(=CC(=C3S2)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OCC2=NC3=C(C(=CC(=C3S2)F)F)F

InChI

InChI=1S/C16H10F3NO2S/c17-10-7-11(18)16-15(14(10)19)20-12(23-16)8-22-13(21)6-9-4-2-1-3-5-9/h1-5,7H,6,8H2