dimethyl 3-[4-(1,2,3-benzothiadiazol-5-ylcarbonylamino)pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-(1,2,3-benzothiadiazol-5-ylcarbonylamino)pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(1,2,3-benzothiadiazole-5-carbonylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[1,2,3-benzothiadiazol-5-yl(oxo)methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(1,2,3-benzothiadiazole-5-carbonylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(1,2,3-benzothiadiazole-5-carbonylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H17N5O5S MolecularWeight: 403.41238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC3=C(C=C2)SN=N3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC3=C(C=C2)SN=N3

InChI

InChI=1S/C17H17N5O5S/c1-26-15(23)6-12(7-16(24)27-2)22-9-11(8-18-22)19-17(25)10-3-4-14-13(5-10)20-21-28-14/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,25)