2-bromanyl-4-pentyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-bromanyl-4-pentyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-bromo-4-pentyl-thiazole-5-carboxylic acid CAS Name: 2-bromo-4-pentyl-5-thiazolecarboxylic acid IUPAC Name: 2-bromo-4-pentyl-1,3-thiazole-5-carboxylic acid Traditional Name: 4-amyl-2-bromo-thiazole-5-carboxylic acid Formula: C9H12BrNO2S MolecularWeight: 278.16608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(SC(=N1)Br)C(=O)O

Isomeric SMILES

CCCCCC1=C(SC(=N1)Br)C(=O)O

InChI

InChI=1S/C9H12BrNO2S/c1-2-3-4-5-6-7(8(12)13)14-9(10)11-6/h2-5H2,1H3,(H,12,13)