4-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4O2S/c1-25-22(28)15-8-3-2-7-14(15)17(24-25)13-20(27)26-12-6-10-18(26)21-23-16-9-4-5-11-19(16)29-21/h2-5,7-9,11,18H,6,10,12-13H2,1H3/t18-/m0/s1