3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]propanoate

Systemtic Name: 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]propanoate Openeye Name: 3-[3-methyl-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]propanoate CAS Name: 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]propanoate IUPAC Name: 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]propanoate Traditional Name: 3-[3-methyl-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]propionate Formula: C15H11F3N3O2S- MolecularWeight: 354.32695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)CCC(=O)[O-]

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)CCC(=O)[O-]

InChI

InChI=1S/C15H12F3N3O2S/c1-8-13-9(15(16,17)18)7-10(11-3-2-6-24-11)19-14(13)21(20-8)5-4-12(22)23/h2-3,6-7H,4-5H2,1H3,(H,22,23)/p-1