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

Systemtic Name: ethyl 3-azanyl-6-(4-butoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 3-amino-6-(4-butoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-6-(4-butoxyphenyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-(4-butoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-6-(4-butoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)OCC)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)OCC)N

InChI

InChI=1S/C21H21F3N2O3S/c1-3-5-10-29-13-8-6-12(7-9-13)15-11-14(21(22,23)24)16-17(25)18(20(27)28-4-2)30-19(16)26-15/h6-9,11H,3-5,10,25H2,1-2H3