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

Systemtic Name: (1-methylimidazol-2-yl)methyl 3-cyano-2-(3-pyridin-3-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: (1-methylimidazol-2-yl)methyl 3-cyano-2-[3-(3-pyridyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[1-oxo-3-(3-pyridinyl)butyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (1-methyl-2-imidazolyl)methyl ester IUPAC Name: (1-methylimidazol-2-yl)methyl 3-cyano-2-(3-pyridin-3-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(3-pyridyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (1-methylimidazol-2-yl)methyl ester Formula: C23H24N6O3S MolecularWeight: 464.54006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O3S/c1-15(16-4-3-6-25-12-16)10-21(30)27-22-18(11-24)17-5-8-29(13-19(17)33-22)23(31)32-14-20-26-7-9-28(20)2/h3-4,6-7,9,12,15H,5,8,10,13-14H2,1-2H3,(H,27,30)