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

Systemtic Name: 2-[3-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(5-methylsulfonyl-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[(5-mesyl-1,3-benzothiazol-2-yl)methyl]phthalazin-1-yl]acetic acid Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)SC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)SC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

InChI=1S/C19H15N3O5S2/c1-29(26,27)11-6-7-16-15(8-11)20-17(28-16)10-22-19(25)13-5-3-2-4-12(13)14(21-22)9-18(23)24/h2-8H,9-10H2,1H3,(H,23,24)