Most often we have the case where we have a list of IUPAC names and we want to convert them to a list of SMILES for query processing. There are two ways that I know how to do it.
1,1,1,2-tetrachloroethane 1,1,1-trichloroethane 1,1,1-trifluoropropan-2-ol 1,1,2,2-tetrachloroethane 1,1,2-trichloro-1,2,2-trifluoroethane 1,1,2-trichloroethane 1,1-dichloroethane 1,1-dichloroethene
We are going to use two different softwares: Cirpy and Stout. One of which is a lookup based on what data is available and the other is a recurrent neural network (RNN) that was trained on a SMILES/IUPAC dataset and now distributed as machine learned model.