Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCOC3)s1

InChI InChI=1S/C14H14N2O3S2/c1-7-2-3-9(20-7)13(18)16-14-11(12(15)17)8-4-5-19-6-10(8)21-14/h2-3H,4-6H2,1H3,(H2,15,17)(H,16,18)

InChIKey VPAVIJLHEQXUFJ-UHFFFAOYSA-N

Molecular Weight

322.41