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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-diquinone Formula: C20H13N3O4S MolecularWeight: 391.39992

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)C12C3=CC=CC=C3C(=O)N(C2=O)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(=O)NC(=O)C12C3=CC=CC=C3C(=O)N(C2=O)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H13N3O4S/c24-15-9-20(18(26)22-15)12-6-2-1-5-11(12)17(25)23(19(20)27)10-16-21-13-7-3-4-8-14(13)28-16/h1-8H,9-10H2,(H,22,24,26)