methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-benzylsulfanyl-propanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)-2-(piazthiol-4-ylsulfonylamino)propionic acid methyl ester Formula: C17H17N3O4S3 MolecularWeight: 423.52958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H17N3O4S3/c1-24-17(21)14(11-25-10-12-6-3-2-4-7-12)20-27(22,23)15-9-5-8-13-16(15)19-26-18-13/h2-9,14,20H,10-11H2,1H3