2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanethioic S-acid

Systemtic Name: 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanethioic S-acid Openeye Name: 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanethioic S-acid CAS Name: 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanethioic S-acid IUPAC Name: 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanethioic S-acid Traditional Name: 2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]thioacetic acid Formula: C10H6F3NO2S MolecularWeight: 261.22035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N=C(O2)CC(=O)S

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(O2)CC(=O)S

InChI

InChI=1S/C10H6F3NO2S/c11-10(12,13)5-1-2-7-6(3-5)14-8(16-7)4-9(15)17/h1-3H,4H2,(H,15,17)