ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-bis(fluoranyl)ethanoate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-bis(fluoranyl)ethanoate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoro-acetate CAS Name: 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate Traditional Name: 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoro-acetic acid ethyl ester Formula: C11H9F2NO4S2 MolecularWeight: 321.320266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(F)(F)S(=O)(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)C(F)(F)S(=O)(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C11H9F2NO4S2/c1-2-18-9(15)11(12,13)20(16,17)10-14-7-5-3-4-6-8(7)19-10/h3-6H,2H2,1H3