(phenylmethyl) (2S,4S)-4-cyclohexyl-1-(phenylmethyl)-5-sulfanylidene-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S)-4-cyclohexyl-1-(phenylmethyl)-5-sulfanylidene-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S,4S)-1-benzyl-4-cyclohexyl-5-thioxo-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-cyclohexyl-1-(phenylmethyl)-5-sulfanylidene-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S)-1-benzyl-4-cyclohexyl-5-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-benzyl-4-cyclohexyl-5-thioxo-pyrrolidine-2-carboxylic acid benzyl ester Formula: C25H29NO2S MolecularWeight: 407.56826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(N(C2=S)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[C@@H]2C[C@H](N(C2=S)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29NO2S/c27-25(28-18-20-12-6-2-7-13-20)23-16-22(21-14-8-3-9-15-21)24(29)26(23)17-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2/t22-,23-/m0/s1