[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-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-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Traditional Name: (2R)-2-(piazthiol-4-ylsulfonylamino)propionic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C20H18N4O5S2 MolecularWeight: 458.51072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C(C)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H18N4O5S2/c1-11-18(13-6-3-4-7-14(13)21-11)16(25)10-29-20(26)12(2)24-31(27,28)17-9-5-8-15-19(17)23-30-22-15/h3-9,12,21,24H,10H2,1-2H3/t12-/m1/s1