2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanethioic S-acid

Systemtic Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanethioic S-acid Openeye Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanethioic S-acid CAS Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanethioic S-acid IUPAC Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanethioic S-acid Traditional Name: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiopropionic acid Formula: C11H8F3NOS2 MolecularWeight: 291.31253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(S1)C=CC(=C2)C(F)(F)F)C(=O)S

Isomeric SMILES

CC(C1=NC2=C(S1)C=CC(=C2)C(F)(F)F)C(=O)S

InChI

InChI=1S/C11H8F3NOS2/c1-5(10(16)17)9-15-7-4-6(11(12,13)14)2-3-8(7)18-9/h2-5H,1H3,(H,16,17)