3,3-dimethyl-1-[2-(5-phenylpentanethioyl)pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[2-(5-phenylpentanethioyl)pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[2-(5-phenylpentanethioyl)pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-(5-phenyl-1-sulfanylidenepentyl)-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-(5-phenylpentanethioyl)pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[2-(5-phenylpentanethioyl)pyrrolidino]pentane-1,2-dione Formula: C22H31NO2S MolecularWeight: 373.55204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)CCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)CCCCC2=CC=CC=C2

InChI

InChI=1S/C22H31NO2S/c1-4-22(2,3)20(24)21(25)23-16-10-14-18(23)19(26)15-9-8-13-17-11-6-5-7-12-17/h5-7,11-12,18H,4,8-10,13-16H2,1-3H3