2-[2-(1,3-benzothiazol-5-yl)-7-chloranyl-3-methyl-4-oxidanylidene-1H-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-5-yl)-7-chloranyl-3-methyl-4-oxidanylidene-1H-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-5-yl)-7-chloro-3-methyl-4-oxo-1H-phthalazin-1-yl]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-5-yl)-7-chloro-3-methyl-4-oxo-1H-phthalazin-1-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-5-yl)-7-chloro-3-methyl-4-oxo-1H-phthalazin-1-yl]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-5-yl)-7-chloro-4-keto-3-methyl-1H-phthalazin-1-yl]acetic acid Formula: C18H14ClN3O3S MolecularWeight: 387.84006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)Cl)C(N1C3=CC4=C(C=C3)SC=N4)CC(=O)O

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)Cl)C(N1C3=CC4=C(C=C3)SC=N4)CC(=O)O

InChI

InChI=1S/C18H14ClN3O3S/c1-21-18(25)12-4-2-10(19)6-13(12)15(8-17(23)24)22(21)11-3-5-16-14(7-11)20-9-26-16/h2-7,9,15H,8H2,1H3,(H,23,24)