3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-sulfanyl-propanoic acid

Systemtic Name: 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-sulfanyl-propanoic acid Openeye Name: 3-[2-(p-tolyl)thiazol-4-yl]-2-sulfanyl-propanoic acid CAS Name: 2-mercapto-3-[2-(4-methylphenyl)-4-thiazolyl]propanoic acid IUPAC Name: 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2-sulfanylpropanoic acid Traditional Name: 2-mercapto-3-[2-(p-tolyl)thiazol-4-yl]propionic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CC(C(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CC(C(=O)O)S

InChI

InChI=1S/C13H13NO2S2/c1-8-2-4-9(5-3-8)12-14-10(7-18-12)6-11(17)13(15)16/h2-5,7,11,17H,6H2,1H3,(H,15,16)