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

Systemtic Name: 2-[4-methyl-2-(4-methylsulfonylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-(4-methylsulfonylphenyl)sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[(4-methylsulfonylphenyl)thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-(4-methylsulfonylphenyl)sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(4-mesylphenyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H13NO4S3 MolecularWeight: 343.44162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4S3/c1-8-11(7-12(15)16)20-13(14-8)19-9-3-5-10(6-4-9)21(2,17)18/h3-6H,7H2,1-2H3,(H,15,16)