2-[3-(1,3-benzothiazol-2-ylmethyl)-7-bromanyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-7-bromanyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-7-bromo-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-7-bromo-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-7-bromo-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-7-bromo-4-keto-phthalazin-1-yl]acetic acid Formula: C18H12BrN3O3S MolecularWeight: 430.27518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN3O3S/c19-10-5-6-11-12(7-10)14(8-17(23)24)21-22(18(11)25)9-16-20-13-3-1-2-4-15(13)26-16/h1-7H,8-9H2,(H,23,24)