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

Systemtic Name: tert-butyl 3-cyano-2-(2-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 3-cyano-2-(2-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[(1-oxo-2-phenylpropyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-2-(2-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(hydratropoylamino)-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(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C22H25N3O3S/c1-14(15-8-6-5-7-9-15)19(26)24-20-17(12-23)16-10-11-25(13-18(16)29-20)21(27)28-22(2,3)4/h5-9,14H,10-11,13H2,1-4H3,(H,24,26)