ethyl 3-cyano-2-[(3-methyl-3-phenyl-butanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-cyano-2-[(3-methyl-3-phenyl-butanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[(3-methyl-3-phenyl-butanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[(3-methyl-1-oxo-3-phenylbutyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[(3-methyl-3-phenylbutanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[(3-methyl-3-phenyl-butanoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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