4-butan-2-yl-2-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-butan-2-yl-2-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-methyl-4-sec-butyl-thiazole-5-carboxylic acid CAS Name: 4-butan-2-yl-2-methyl-5-thiazolecarboxylic acid IUPAC Name: 4-butan-2-yl-2-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-methyl-4-sec-butyl-thiazole-5-carboxylic acid Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(SC(=N1)C)C(=O)O

Isomeric SMILES

CCC(C)C1=C(SC(=N1)C)C(=O)O

InChI

InChI=1S/C9H13NO2S/c1-4-5(2)7-8(9(11)12)13-6(3)10-7/h5H,4H2,1-3H3,(H,11,12)