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

Systemtic Name: 2-imidazol-1-ylethyl 3-cyano-2-(3-pyridin-2-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-imidazol-1-ylethyl 3-cyano-2-[3-(2-pyridyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[1-oxo-3-(2-pyridinyl)butyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-(1-imidazolyl)ethyl ester IUPAC Name: 2-imidazol-1-ylethyl 3-cyano-2-(3-pyridin-2-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(2-pyridyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-imidazol-1-ylethyl 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)OCCN3C=CN=C3)C#N)C4=CC=CC=N4

Isomeric SMILES

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCCN3C=CN=C3)C#N)C4=CC=CC=N4

InChI

InChI=1S/C23H24N6O3S/c1-16(19-4-2-3-6-26-19)12-21(30)27-22-18(13-24)17-5-8-29(14-20(17)33-22)23(31)32-11-10-28-9-7-25-15-28/h2-4,6-7,9,15-16H,5,8,10-12,14H2,1H3,(H,27,30)