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

Systemtic Name: 1-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]cinnolin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C3=CC=CC=C3C(=O)C=N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CN2C3=CC=CC=C3C(=O)C=N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N4O2S/c26-18-12-22-25(16-8-3-1-6-14(16)18)13-20(27)24-11-5-9-17(24)21-23-15-7-2-4-10-19(15)28-21/h1-4,6-8,10,12,17H,5,9,11,13H2/t17-/m0/s1