1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one

Systemtic Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one Openeye Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]cinnolin-4-one CAS Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-4-cinnolinone IUPAC Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one Traditional Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]cinnolin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2C3=CC=CC=C3C(=O)C=N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCN2C3=CC=CC=C3C(=O)C=N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4O2S/c27-19-14-23-26(17-8-3-1-6-15(17)19)13-11-21(28)25-12-5-9-18(25)22-24-16-7-2-4-10-20(16)29-22/h1-4,6-8,10,14,18H,5,9,11-13H2/t18-/m0/s1