1-[3-(4-bromophenyl)carbonyl-4-oxidanylidene-4-phenyl-butanethioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(4-bromophenyl)carbonyl-4-oxidanylidene-4-phenyl-butanethioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-benzoyl-4-(4-bromophenyl)-4-oxo-butanethioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-benzoyl-4-(4-bromophenyl)-4-oxo-1-sulfanylidenebutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-benzoyl-4-(4-bromophenyl)-4-oxobutanethioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-benzoyl-4-(4-bromophenyl)-4-keto-butanethioyl]proline Formula: C22H20BrNO4S MolecularWeight: 474.3675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)CC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=S)CC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H20BrNO4S/c23-16-10-8-15(9-11-16)21(26)17(20(25)14-5-2-1-3-6-14)13-19(29)24-12-4-7-18(24)22(27)28/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H,27,28)