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

Systemtic Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)ethanone Openeye Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)ethanone CAS Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-phenylphenoxy)ethanone IUPAC Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)ethanone Traditional Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-(4-phenylphenoxy)ethanone Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N2O2S/c28-24(17-29-20-14-12-19(13-15-20)18-7-2-1-3-8-18)27-16-6-10-22(27)25-26-21-9-4-5-11-23(21)30-25/h1-5,7-9,11-15,22H,6,10,16-17H2/t22-/m1/s1