2-(3,8-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(3,8-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(3,8-dimethyl-2-quinolyl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(3,8-dimethyl-2-quinolinyl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(3,8-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(3,8-dimethyl-2-quinolyl)thio]-1-pyrrolidino-ethanone Formula: C17H20N2OS MolecularWeight: 300.4185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)N3CCCC3)C

InChI

InChI=1S/C17H20N2OS/c1-12-6-5-7-14-10-13(2)17(18-16(12)14)21-11-15(20)19-8-3-4-9-19/h5-7,10H,3-4,8-9,11H2,1-2H3