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

Systemtic Name: 2-(carboxymethylsulfanyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(carboxymethylsulfanyl)thiazole-4-carboxylic acid CAS Name: 2-(carboxymethylthio)-4-thiazolecarboxylic acid IUPAC Name: 2-(carboxymethylsulfanyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(carboxymethylthio)thiazole-4-carboxylic acid Formula: C6H5NO4S2 MolecularWeight: 219.2382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO4S2/c8-4(9)2-13-6-7-3(1-12-6)5(10)11/h1H,2H2,(H,8,9)(H,10,11)