5-(carboxymethylsulfanyl)-1,3-thiazole-4-carboxylic acid

Systemtic Name: 5-(carboxymethylsulfanyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 5-(carboxymethylsulfanyl)thiazole-4-carboxylic acid CAS Name: 5-(carboxymethylthio)-4-thiazolecarboxylic acid IUPAC Name: 5-(carboxymethylsulfanyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 5-(carboxymethylthio)thiazole-4-carboxylic acid Formula: C6H5NO4S2 MolecularWeight: 219.2382

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(S1)SCC(=O)O)C(=O)O

Isomeric SMILES

C1=NC(=C(S1)SCC(=O)O)C(=O)O

InChI

InChI=1S/C6H5NO4S2/c8-3(9)1-12-6-4(5(10)11)7-2-13-6/h2H,1H2,(H,8,9)(H,10,11)