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

Systemtic Name: pyridin-3-ylmethyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 3-pyridylmethyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[(1-oxo-3-phenylpropyl)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-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(hydrocinnamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-pyridylmethyl ester Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3S/c25-13-20-19-10-12-28(24(30)31-16-18-7-4-11-26-14-18)15-21(19)32-23(20)27-22(29)9-8-17-5-2-1-3-6-17/h1-7,11,14H,8-10,12,15-16H2,(H,27,29)