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

Systemtic Name: pyridin-4-ylmethyl 3-cyano-2-(3-pyridin-3-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 4-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 pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-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 4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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