2-(2-carboxyethylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(2-carboxyethylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(2-carboxyethylsulfanyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(2-carboxyethylthio)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(2-carboxyethylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(2-carboxyethylthio)-4-methyl-thiazole-5-carboxylic acid Formula: C8H9NO4S2 MolecularWeight: 247.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCCC(=O)O)C(=O)O

InChI

InChI=1S/C8H9NO4S2/c1-4-6(7(12)13)15-8(9-4)14-3-2-5(10)11/h2-3H2,1H3,(H,10,11)(H,12,13)