[2-(2,1,3-benzothiadiazol-4-ylcarbamoyl)-4,6-bis(iodanyl)phenyl] ethanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylcarbamoyl)-4,6-bis(iodanyl)phenyl] ethanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylcarbamoyl)-4,6-diiodo-phenyl] acetate CAS Name: acetic acid [2-[(2,1,3-benzothiadiazol-4-ylamino)-oxomethyl]-4,6-diiodophenyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylcarbamoyl)-4,6-diiodophenyl] acetate Traditional Name: acetic acid [2,4-diiodo-6-(piazthiol-4-ylcarbamoyl)phenyl] ester Formula: C15H9I2N3O3S MolecularWeight: 565.1242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C(=O)NC2=CC=CC3=NSN=C32)I)I

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C(=O)NC2=CC=CC3=NSN=C32)I)I

InChI

InChI=1S/C15H9I2N3O3S/c1-7(21)23-14-9(5-8(16)6-10(14)17)15(22)18-11-3-2-4-12-13(11)20-24-19-12/h2-6H,1H3,(H,18,22)