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

Systemtic Name: 2-[3-[(6-methyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(6-methyl-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(6-methyl-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(6-methyl-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[(6-methyl-1,3-benzothiazol-2-yl)methyl]phthalazin-1-yl]acetic acid Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

InChI=1S/C19H15N3O3S/c1-11-6-7-14-16(8-11)26-17(20-14)10-22-19(25)13-5-3-2-4-12(13)15(21-22)9-18(23)24/h2-8H,9-10H2,1H3,(H,23,24)