3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N4O3S/c26-18(12-25-21(28)14-7-2-1-6-13(14)19(27)23-25)24-11-5-9-16(24)20-22-15-8-3-4-10-17(15)29-20/h1-4,6-8,10,16H,5,9,11-12H2,(H,23,27)/t16-/m0/s1