2-imidazol-1-ylethyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: 2-imidazol-1-ylethyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-imidazol-1-ylethyl 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 2-(1-imidazolyl)ethyl ester IUPAC Name: 2-imidazol-1-ylethyl 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 2-imidazol-1-ylethyl ester Formula: C23H23N5O3S MolecularWeight: 449.52542

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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)OCCN4C=CN=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)CCC3=CC=CC=C3)C#N)C(=O)OCCN4C=CN=C4

InChI

InChI=1S/C23H23N5O3S/c24-14-19-18-8-10-28(23(30)31-13-12-27-11-9-25-16-27)15-20(18)32-22(19)26-21(29)7-6-17-4-2-1-3-5-17/h1-5,9,11,16H,6-8,10,12-13,15H2,(H,26,29)