pyridin-3-ylmethyl 3-cyano-2-(3-pyridin-3-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: pyridin-3-ylmethyl 3-cyano-2-(3-pyridin-3-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 3-pyridylmethyl 3-cyano-2-[3-(3-pyridyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[1-oxo-3-(3-pyridinyl)propyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 3-cyano-2-(3-pyridin-3-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(3-pyridyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-pyridylmethyl ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)CCC3=CN=CC=C3)C#N)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)CCC3=CN=CC=C3)C#N)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C23H21N5O3S/c24-11-19-18-7-10-28(23(30)31-15-17-4-2-9-26-13-17)14-20(18)32-22(19)27-21(29)6-5-16-3-1-8-25-12-16/h1-4,8-9,12-13H,5-7,10,14-15H2,(H,27,29)