4-(butoxymethyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(butoxymethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(butoxymethyl)thiazole-2-carboxylic acid CAS Name: 4-(butoxymethyl)-2-thiazolecarboxylic acid IUPAC Name: 4-(butoxymethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-(butoxymethyl)thiazole-2-carboxylic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=CSC(=N1)C(=O)O

Isomeric SMILES

CCCCOCC1=CSC(=N1)C(=O)O

InChI

InChI=1S/C9H13NO3S/c1-2-3-4-13-5-7-6-14-8(10-7)9(11)12/h6H,2-5H2,1H3,(H,11,12)