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

Systemtic Name: 4-(butylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(butylsulfonylmethyl)thiazole-2-carboxylic acid CAS Name: 4-(butylsulfonylmethyl)-2-thiazolecarboxylic acid IUPAC Name: 4-(butylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-(butylsulfonylmethyl)thiazole-2-carboxylic acid Formula: C9H13NO4S2 MolecularWeight: 263.33382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC1=CSC(=N1)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)CC1=CSC(=N1)C(=O)O

InChI

InChI=1S/C9H13NO4S2/c1-2-3-4-16(13,14)6-7-5-15-8(10-7)9(11)12/h5H,2-4,6H2,1H3,(H,11,12)