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

Systemtic Name: 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O)OC

InChI

InChI=1S/C20H17N3O5S/c1-27-11-7-15-19(16(8-11)28-2)29-17(21-15)10-23-20(26)13-6-4-3-5-12(13)14(22-23)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25)