2-pentyl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-pentyl-1,3-thiazole-4-carboxylic acid Openeye Name: 2-pentylthiazole-4-carboxylic acid CAS Name: 2-pentyl-4-thiazolecarboxylic acid IUPAC Name: 2-pentyl-1,3-thiazole-4-carboxylic acid Traditional Name: 2-amylthiazole-4-carboxylic acid Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=CS1)C(=O)O

Isomeric SMILES

CCCCCC1=NC(=CS1)C(=O)O

InChI

InChI=1S/C9H13NO2S/c1-2-3-4-5-8-10-7(6-13-8)9(11)12/h6H,2-5H2,1H3,(H,11,12)