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

Systemtic Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-ethyl-4-oxidanylidene-1,3-dihydrophthalazin-1-yl]ethanoic acid Openeye Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-ethyl-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid CAS Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-ethyl-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid IUPAC Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-ethyl-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid Traditional Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-ethyl-4-keto-1,3-dihydrophthalazin-1-yl]acetic acid Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)NN(C2CC(=O)O)C3=CC4=C(C=C3)SN=N4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)NN(C2CC(=O)O)C3=CC4=C(C=C3)SN=N4

InChI

InChI=1S/C18H16N4O3S/c1-2-10-3-5-12-13(7-10)15(9-17(23)24)22(20-18(12)25)11-4-6-16-14(8-11)19-21-26-16/h3-8,15H,2,9H2,1H3,(H,20,25)(H,23,24)