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

Systemtic Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3-ethanoylphenoxy)ethanone Openeye Name: 2-(3-acetylphenoxy)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(3-acetylphenoxy)-1-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(3-acetylphenoxy)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(3-acetylphenoxy)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]ethanone Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S/c1-14(24)15-6-4-7-16(12-15)26-13-20(25)23-11-5-9-18(23)21-22-17-8-2-3-10-19(17)27-21/h2-4,6-8,10,12,18H,5,9,11,13H2,1H3/t18-/m1/s1