2-[2-(1,2,3-benzothiadiazol-5-yl)-7-methyl-4-oxidanylidene-1,3-dihydrophthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-methyl-4-oxidanylidene-1,3-dihydrophthalazin-1-yl]ethanoic acid Openeye Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-methyl-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid CAS Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-methyl-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid IUPAC Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-methyl-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid Traditional Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-4-keto-7-methyl-1,3-dihydrophthalazin-1-yl]acetic acid Formula: C17H14N4O3S MolecularWeight: 354.38306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)NN(C2CC(=O)O)C3=CC4=C(C=C3)SN=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)NN(C2CC(=O)O)C3=CC4=C(C=C3)SN=N4

InChI

InChI=1S/C17H14N4O3S/c1-9-2-4-11-12(6-9)14(8-16(22)23)21(19-17(11)24)10-3-5-15-13(7-10)18-20-25-15/h2-7,14H,8H2,1H3,(H,19,24)(H,22,23)