[2-(dimethylamino)-2-oxidanylidene-ethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate CAS Name: (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Traditional Name: (2R)-2-(piazthiol-4-ylsulfonylamino)propionic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C13H16N4O5S2 MolecularWeight: 372.41994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)C)NS(=O)(=O)C1=CC=CC2=NSN=C21

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N(C)C)NS(=O)(=O)C1=CC=CC2=NSN=C21

InChI

InChI=1S/C13H16N4O5S2/c1-8(13(19)22-7-11(18)17(2)3)16-24(20,21)10-6-4-5-9-12(10)15-23-14-9/h4-6,8,16H,7H2,1-3H3/t8-/m1/s1