2-[methyl-[6-methylsulfanyl-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-[6-methylsulfanyl-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-amino]ethanoic acid Openeye Name: 2-[methyl-[6-methylsulfanyl-5-(trifluoromethyl)naphthalene-1-carbothioyl]amino]acetic acid CAS Name: 2-[methyl-[[6-(methylthio)-5-(trifluoromethyl)-1-naphthalenyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[methyl-[6-methylsulfanyl-5-(trifluoromethyl)naphthalene-1-carbothioyl]amino]acetic acid Traditional Name: 2-[methyl-[6-(methylthio)-5-(trifluoromethyl)naphthalene-1-carbothioyl]amino]acetic acid Formula: C16H14F3NO2S2 MolecularWeight: 373.41307

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)SC

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)SC

InChI

InChI=1S/C16H14F3NO2S2/c1-20(8-13(21)22)15(23)11-5-3-4-10-9(11)6-7-12(24-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)