Converting molecule name to SMILES?

I was just wondering, is there any way to convert IUPAC or common molecular names to SMILES? I want to do this without having to manually convert every single one utilizing online systems. Any input would be much appreciated!

For background, I am currently working with python and RDkit, so I wasn’t sure if RDkit could do this and I was just unaware. My current data is in the csv format.

Thank you!

Answer

RDKit cant convert names to SMILES. Chemical Identifier Resolver can convert names and other identifiers (like CAS No) and has an API so you can convert with a script.

from urllib.request import urlopen
from urllib.parse import quote

def CIRconvert(ids):
    try:
        url = 'http://cactus.nci.nih.gov/chemical/structure/' + quote(ids) + '/smiles'
        ans = urlopen(url).read().decode('utf8')
        return ans
    except:
        return 'Did not work'

identifiers  = ['3-Methylheptane', 'Aspirin', 'Diethylsulfate', 'Diethyl sulfate', '50-78-2', 'Adamant']

for ids in identifiers :
    print(ids, CIRconvert(ids))

Output

3-Methylheptane CCCCC(C)CC
Aspirin CC(=O)Oc1ccccc1C(O)=O
Diethylsulfate CCO[S](=O)(=O)OCC
Diethyl sulfate CCO[S](=O)(=O)OCC
50-78-2 CC(=O)Oc1ccccc1C(O)=O
Adamant Did not work