2-[3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[4-(1,3-benzothiazol-2-yl)benzyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)CC(=O)O

InChI

InChI=1S/C24H17N3O3S/c28-22(29)13-20-17-5-1-2-6-18(17)24(30)27(26-20)14-15-9-11-16(12-10-15)23-25-19-7-3-4-8-21(19)31-23/h1-12H,13-14H2,(H,28,29)