3-[2-(carboxymethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]propanoic acid

Systemtic Name: 3-[2-(carboxymethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]propanoic acid Openeye Name: 3-[2-(carboxymethylsulfanyl)-4-methyl-thiazol-5-yl]propanoic acid CAS Name: 3-[2-(carboxymethylthio)-4-methyl-5-thiazolyl]propanoic acid IUPAC Name: 3-[2-(carboxymethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]propanoic acid Traditional Name: 3-[2-(carboxymethylthio)-4-methyl-thiazol-5-yl]propionic acid Formula: C9H11NO4S2 MolecularWeight: 261.31794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC(=O)O)CCC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC(=O)O)CCC(=O)O

InChI

InChI=1S/C9H11NO4S2/c1-5-6(2-3-7(11)12)16-9(10-5)15-4-8(13)14/h2-4H2,1H3,(H,11,12)(H,13,14)