ethyl 4-(4-fluorophenyl)-2-[2-(pyridin-2-ylmethylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[2-(pyridin-2-ylmethylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[[2-(2-pyridylmethylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[1-oxo-2-(2-pyridinylmethylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-(2-pyridylmethylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CNCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CNCC3=CC=CC=N3

InChI

InChI=1S/C21H20FN3O3S/c1-2-28-21(27)19-17(14-6-8-15(22)9-7-14)13-29-20(19)25-18(26)12-23-11-16-5-3-4-10-24-16/h3-10,13,23H,2,11-12H2,1H3,(H,25,26)