(3-methylimidazol-4-yl)methyl 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: (3-methylimidazol-4-yl)methyl 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: (3-methylimidazol-4-yl)methyl 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[(1-oxo-3-phenylbutyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (3-methyl-4-imidazolyl)methyl ester IUPAC Name: (3-methylimidazol-4-yl)methyl 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (3-methylimidazol-4-yl)methyl ester Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC3=CN=CN3C)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC3=CN=CN3C)C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3S/c1-16(17-6-4-3-5-7-17)10-22(30)27-23-20(11-25)19-8-9-29(13-21(19)33-23)24(31)32-14-18-12-26-15-28(18)2/h3-7,12,15-16H,8-10,13-14H2,1-2H3,(H,27,30)