2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone

Systemtic Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone Openeye Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone CAS Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone IUPAC Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone Traditional Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-diquinone Formula: C21H12F3N3O4S MolecularWeight: 459.39789

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)C12C3=CC=CC=C3C(=O)N(C2=O)CC4=NC5=C(S4)C=CC(=C5)C(F)(F)F

Isomeric SMILES

C1C(=O)NC(=O)C12C3=CC=CC=C3C(=O)N(C2=O)CC4=NC5=C(S4)C=CC(=C5)C(F)(F)F

InChI

InChI=1S/C21H12F3N3O4S/c22-21(23,24)10-5-6-14-13(7-10)25-16(32-14)9-27-17(29)11-3-1-2-4-12(11)20(19(27)31)8-15(28)26-18(20)30/h1-7H,8-9H2,(H,26,28,30)