2-[[3-azanyl-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[3-azanyl-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonylamino]ethanoate Openeye Name: 2-[[3-amino-6-(3-pyridyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]acetate CAS Name: 2-[[[3-amino-6-(3-pyridinyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[3-amino-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]acetate Traditional Name: 2-[[3-amino-6-(3-pyridyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]acetate Formula: C16H10F3N4O3S- MolecularWeight: 395.33581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NCC(=O)[O-])N

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NCC(=O)[O-])N

InChI

InChI=1S/C16H11F3N4O3S/c17-16(18,19)8-4-9(7-2-1-3-21-5-7)23-15-11(8)12(20)13(27-15)14(26)22-6-10(24)25/h1-5H,6,20H2,(H,22,26)(H,24,25)/p-1