1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-dibenzofuran-2-yloxy-ethanone

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-dibenzofuran-2-yloxy-ethanone Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-dibenzofuran-2-yloxy-ethanone CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-(2-dibenzofuranyloxy)ethanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-dibenzofuran-2-yloxyethanone Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-dibenzofuran-2-yloxy-ethanone Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC3=C(C=C2)OC4=CC=CC=C43)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CC(N(C1)C(=O)COC2=CC3=C(C=C2)OC4=CC=CC=C43)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H20N2O3S/c28-24(27-13-5-8-20(27)25-26-19-7-2-4-10-23(19)31-25)15-29-16-11-12-22-18(14-16)17-6-1-3-9-21(17)30-22/h1-4,6-7,9-12,14,20H,5,8,13,15H2