5-methylsulfanyl-3-(trifluoromethyl)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-methylsulfanyl-3-(trifluoromethyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-methylsulfanyl-3-(trifluoromethyl)isothiazole-4-carboxylic acid CAS Name: 5-(methylthio)-3-(trifluoromethyl)-4-isothiazolecarboxylic acid IUPAC Name: 5-methylsulfanyl-3-(trifluoromethyl)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(methylthio)-3-(trifluoromethyl)isothiazole-4-carboxylic acid Formula: C6H4F3NO2S2 MolecularWeight: 243.22667

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NS1)C(F)(F)F)C(=O)O

Isomeric SMILES

CSC1=C(C(=NS1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C6H4F3NO2S2/c1-13-5-2(4(11)12)3(10-14-5)6(7,8)9/h1H3,(H,11,12)