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

Systemtic Name: 2-[3-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]phthalazin-1-yl]acetic acid Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

InChI=1S/C19H15N3O4S/c1-26-14-7-4-8-15-18(14)20-16(27-15)10-22-19(25)12-6-3-2-5-11(12)13(21-22)9-17(23)24/h2-8H,9-10H2,1H3,(H,23,24)