S-(1,3-benzothiazol-2-yl) 2-[2,4,6-tris(bromanyl)phenoxy]ethanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 2-[2,4,6-tris(bromanyl)phenoxy]ethanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 2-(2,4,6-tribromophenoxy)ethanethioate CAS Name: 2-(2,4,6-tribromophenoxy)ethanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 2-(2,4,6-tribromophenoxy)ethanethioate Traditional Name: 2-(2,4,6-tribromophenoxy)ethanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C15H8Br3NO2S2 MolecularWeight: 538.07152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=O)COC3=C(C=C(C=C3Br)Br)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=O)COC3=C(C=C(C=C3Br)Br)Br

InChI

InChI=1S/C15H8Br3NO2S2/c16-8-5-9(17)14(10(18)6-8)21-7-13(20)23-15-19-11-3-1-2-4-12(11)22-15/h1-6H,7H2