2-[3-(1,3-benzothiazol-2-ylmethyl)-6-chloranyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-6-chloranyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-6-chloro-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-6-chloro-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-6-chloro-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-6-chloro-4-keto-phthalazin-1-yl]acetic acid Formula: C18H12ClN3O3S MolecularWeight: 385.82418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CN3C(=O)C4=C(C=CC(=C4)Cl)C(=N3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CN3C(=O)C4=C(C=CC(=C4)Cl)C(=N3)CC(=O)O

InChI

InChI=1S/C18H12ClN3O3S/c19-10-5-6-11-12(7-10)18(25)22(21-14(11)8-17(23)24)9-16-20-13-3-1-2-4-15(13)26-16/h1-7H,8-9H2,(H,23,24)