methyl 4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate

Systemtic Name: methyl 4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate Openeye Name: methyl 4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethoxy]-3-bromobenzoate Traditional Name: 3-bromo-4-[2-keto-2-(piazthiol-4-ylamino)ethoxy]benzoic acid methyl ester Formula: C16H12BrN3O4S MolecularWeight: 422.25318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC3=NSN=C32)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC3=NSN=C32)Br

InChI

InChI=1S/C16H12BrN3O4S/c1-23-16(22)9-5-6-13(10(17)7-9)24-8-14(21)18-11-3-2-4-12-15(11)20-25-19-12/h2-7H,8H2,1H3,(H,18,21)