3-methyl-6-oxidanylidene-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-7H-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 3-methyl-6-oxidanylidene-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 3-methyl-6-oxo-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-methyl-6-oxo-4-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-7H-thieno[2,3-b]pyridine-2-carboxylate IUPAC Name: 3-methyl-6-oxo-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-keto-3-methyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-7H-thieno[2,3-b]pyridine-2-carboxylate Formula: C15H9F3N3O3S2- MolecularWeight: 400.37547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC=CC(=N3)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC=CC(=N3)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C15H10F3N3O3S2/c1-6-10-7(4-9(22)21-12(10)26-11(6)13(23)24)5-25-14-19-3-2-8(20-14)15(16,17)18/h2-4H,5H2,1H3,(H,21,22)(H,23,24)/p-1