(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate CAS Name: 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Traditional Name: 4-(piazthiol-4-ylsulfonylamino)butyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H17N5O5S2 MolecularWeight: 423.46668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCCNS(=O)(=O)C1=CC=CC2=NSN=C21

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCCNS(=O)(=O)C1=CC=CC2=NSN=C21

InChI

InChI=1S/C16H17N5O5S2/c1-10(18)11(8-17)13(22)9-26-15(23)6-3-7-19-28(24,25)14-5-2-4-12-16(14)21-27-20-12/h2,4-5,11,18-19H,3,6-7,9H2,1H3