2-[4-(5-methyl-2-methylsulfanyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(5-methyl-2-methylsulfanyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(5-methyl-2-methylsulfanyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-[5-methyl-2-(methylthio)phenyl]-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(5-methyl-2-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-[5-methyl-2-(methylthio)phenyl]thiazol-2-yl]acetic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC)C2=CSC(=N2)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SC)C2=CSC(=N2)CC(=O)O

InChI

InChI=1S/C13H13NO2S2/c1-8-3-4-11(17-2)9(5-8)10-7-18-12(14-10)6-13(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)