1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-benzyloxyphenoxy)ethanone CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-phenylmethoxyphenoxy)ethanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-(4-benzoxyphenoxy)ethanone Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H24N2O3S/c29-25(28-16-6-10-23(28)26-27-22-9-4-5-11-24(22)32-26)18-31-21-14-12-20(13-15-21)30-17-19-7-2-1-3-8-19/h1-5,7-9,11-15,23H,6,10,16-18H2