methyl 6-(4-methylphenyl)sulfonyloxy-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 6-(4-methylphenyl)sulfonyloxy-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-(p-tolylsulfonyloxy)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-(4-methylphenyl)sulfonyloxy-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-methylphenyl)sulfonyloxy-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-tosyloxy-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C17H12F3NO5S2 MolecularWeight: 431.40609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C=C(S3)C(=O)OC)C(=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C=C(S3)C(=O)OC)C(=C2)C(F)(F)F

InChI

InChI=1S/C17H12F3NO5S2/c1-9-3-5-10(6-4-9)28(23,24)26-14-8-12(17(18,19)20)11-7-13(16(22)25-2)27-15(11)21-14/h3-8H,1-2H3