simplified molecular input line entry system

acronym: SMILES

https://doi.org/10.1351/goldbook.11514

A chemical language that describes molecules in a string of ASCII characters that completely specifies the structure of a molecule as a hydrogen-suppressed graph with nodes as atoms and edges as bonds, parentheses to indicate branching points, lower case to describe aromatic atoms, and numbers to designate ring connection points.

Note: The SMILES of a molecule is an example of a 1D structure.

Examples: Chloroacetic acid, "ClCC(=O)O" and 2-methylpyridine, "Cc1ncccc1."

Source:
PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 256 (https://doi.org/10.1515/pac-2012-1204)