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

Systemtic Name: 2-(4-methyl-2-phenylsulfanyl-1,3-thiazol-5-yl)propanoic acid Openeye Name: 2-(4-methyl-2-phenylsulfanyl-thiazol-5-yl)propanoic acid CAS Name: 2-[4-methyl-2-(phenylthio)-5-thiazolyl]propanoic acid IUPAC Name: 2-(4-methyl-2-phenylsulfanyl-1,3-thiazol-5-yl)propanoic acid Traditional Name: 2-[4-methyl-2-(phenylthio)thiazol-5-yl]propionic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=CC=CC=C2)C(C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC2=CC=CC=C2)C(C)C(=O)O

InChI

InChI=1S/C13H13NO2S2/c1-8(12(15)16)11-9(2)14-13(18-11)17-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,16)