[5-(2-methylprop-2-enoyl)-1,3-benzothiazol-2-yl] 2,2,2-tris(bromanyl)ethanoate

Systemtic Name: [5-(2-methylprop-2-enoyl)-1,3-benzothiazol-2-yl] 2,2,2-tris(bromanyl)ethanoate Openeye Name: [5-(2-methylprop-2-enoyl)-1,3-benzothiazol-2-yl] 2,2,2-tribromoacetate CAS Name: 2,2,2-tribromoacetic acid [5-(2-methyl-1-oxoprop-2-enyl)-1,3-benzothiazol-2-yl] ester IUPAC Name: [5-(2-methylprop-2-enoyl)-1,3-benzothiazol-2-yl] 2,2,2-tribromoacetate Traditional Name: 2,2,2-tribromoacetic acid (5-methacryloyl-1,3-benzothiazol-2-yl) ester Formula: C13H8Br3NO3S MolecularWeight: 497.98452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)C1=CC2=C(C=C1)SC(=N2)OC(=O)C(Br)(Br)Br

Isomeric SMILES

CC(=C)C(=O)C1=CC2=C(C=C1)SC(=N2)OC(=O)C(Br)(Br)Br

InChI

InChI=1S/C13H8Br3NO3S/c1-6(2)10(18)7-3-4-9-8(5-7)17-12(21-9)20-11(19)13(14,15)16/h3-5H,1H2,2H3