O-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxidanylidene-pentyl)pyrrolidine-2-carbothioate

Systemtic Name: O-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxidanylidene-pentyl)pyrrolidine-2-carbothioate Openeye Name: O-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxo-pentyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-2-oxopentyl)-2-pyrrolidinecarbothioic acid O-(2,2-diphenylethyl) ester IUPAC Name: O-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxopentyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentyl)pyrrolidine-2-carbothioic acid O-(2,2-diphenylethyl) ester Formula: C26H33NO2S MolecularWeight: 423.61072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)CN1CCCC1C(=S)OCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)CN1CCCC1C(=S)OCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H33NO2S/c1-4-26(2,3)24(28)18-27-17-11-16-23(27)25(30)29-19-22(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,22-23H,4,11,16-19H2,1-3H3