(phenylmethyl) 3-azanyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: (phenylmethyl) 3-azanyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: benzyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-6-phenyl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid benzyl ester Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CC=C4)N

InChI

InChI=1S/C22H15F3N2O2S/c23-22(24,25)15-11-16(14-9-5-2-6-10-14)27-20-17(15)18(26)19(30-20)21(28)29-12-13-7-3-1-4-8-13/h1-11H,12,26H2