The SMILES string for Methacycline from the GSRS website is:
[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=CC=CC(O)=C4C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
I would expect the CN and COH bonds to be into the page (see GSRS image) but SmilesDrawer is rendering wedges. I tested the SMILES string on other renderers including PubChem and get the correct structure so I expect the SMILES string itself to be accurate. Can someone help debug the issue?
The SMILES string for Methacycline from the GSRS website is:
[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=CC=CC(O)=C4C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
I would expect the CN and COH bonds to be into the page (see GSRS image) but SmilesDrawer is rendering wedges. I tested the SMILES string on other renderers including PubChem and get the correct structure so I expect the SMILES string itself to be accurate. Can someone help debug the issue?GSRS:
PubChem:
SmilesDrawer: