2-(4-methyl-1,3-thiazol-5-yl)-3-phenyl-2-sulfanyl-propanoic acid

Systemtic Name: 2-(4-methyl-1,3-thiazol-5-yl)-3-phenyl-2-sulfanyl-propanoic acid Openeye Name: 2-(4-methylthiazol-5-yl)-3-phenyl-2-sulfanyl-propanoic acid CAS Name: 2-mercapto-2-(4-methyl-5-thiazolyl)-3-phenylpropanoic acid IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)-3-phenyl-2-sulfanylpropanoic acid Traditional Name: 2-mercapto-2-(4-methylthiazol-5-yl)-3-phenyl-propionic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(CC2=CC=CC=C2)(C(=O)O)S

Isomeric SMILES

CC1=C(SC=N1)C(CC2=CC=CC=C2)(C(=O)O)S

InChI

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