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

Systemtic Name: tert-butyl 3-cyano-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)28-21(27)25-12-11-16-17(13-23)20(29-18(16)14-25)24-19(26)10-9-15-7-5-4-6-8-15/h4-8H,9-12,14H2,1-3H3,(H,24,26)