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 CC1(C)Cc2c(sc(NC(=O)c3ccccc3O)c2C(N)=O)CO1

InChI

InChI=1S/C17H18N2O4S/c1-17(2)7-10-12(8-23-17)24-16(13(10)14(18)21)19-15(22)9-5-3-4-6-11(9)20/h3-6,20H,7-8H2,1-2H3,(H2,18,21)(H,19,22)

InChIKey MUEUFQJSFAIBML-UHFFFAOYSA-N

Molecular Weight

346.41