[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C15H14N4O5S3 MolecularWeight: 426.49046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)CCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H14N4O5S3/c20-12(17-10-3-1-4-11-15(10)19-26-18-11)9-24-13(21)6-7-16-27(22,23)14-5-2-8-25-14/h1-5,8,16H,6-7,9H2,(H,17,20)