4-butyl-2-(chloromethyl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-butyl-2-(chloromethyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 4-butyl-2-(chloromethyl)thiazole-5-carboxylic acid CAS Name: 4-butyl-2-(chloromethyl)-5-thiazolecarboxylic acid IUPAC Name: 4-butyl-2-(chloromethyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-butyl-2-(chloromethyl)thiazole-5-carboxylic acid Formula: C9H12ClNO2S MolecularWeight: 233.71508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC(=N1)CCl)C(=O)O

Isomeric SMILES

CCCCC1=C(SC(=N1)CCl)C(=O)O

InChI

InChI=1S/C9H12ClNO2S/c1-2-3-4-6-8(9(12)13)14-7(5-10)11-6/h2-5H2,1H3,(H,12,13)