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

Systemtic Name: 2-(1-adamantyl)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]ethanone Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C23H28N2OS/c26-21(14-23-11-15-8-16(12-23)10-17(9-15)13-23)25-7-3-5-19(25)22-24-18-4-1-2-6-20(18)27-22/h1-2,4,6,15-17,19H,3,5,7-14H2/t15?,16?,17?,19-,23?/m1/s1