N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromanyl-2-fluoranyl-phenoxy)ethanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromanyl-2-fluoranyl-phenoxy)ethanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromo-2-fluoro-phenoxy)acetamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromo-2-fluoro-phenoxy)acetamide Formula: C17H13BrFN3O3S MolecularWeight: 438.270823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H13BrFN3O3S/c1-9(23)20-11-3-4-13-15(7-11)26-17(21-13)22-16(24)8-25-14-5-2-10(18)6-12(14)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22,24)