methyl 3-azanyl-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-amino-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-5-mesyl-6-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C17H13F3N2O4S2 MolecularWeight: 430.42133

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=C(N=C2S1)C3=CC=CC=C3C(F)(F)F)S(=O)(=O)C)N

Isomeric SMILES

COC(=O)C1=C(C2=CC(=C(N=C2S1)C3=CC=CC=C3C(F)(F)F)S(=O)(=O)C)N

InChI

InChI=1S/C17H13F3N2O4S2/c1-26-16(23)14-12(21)9-7-11(28(2,24)25)13(22-15(9)27-14)8-5-3-4-6-10(8)17(18,19)20/h3-7H,21H2,1-2H3