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

Systemtic Name: 2-(2,4-dimethylimidazol-1-yl)ethyl 3-cyano-2-(3-pyridin-3-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(2,4-dimethylimidazol-1-yl)ethyl 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 2-(2,4-dimethyl-1-imidazolyl)ethyl ester IUPAC Name: 2-(2,4-dimethylimidazol-1-yl)ethyl 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 2-(2,4-dimethylimidazol-1-yl)ethyl ester Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C)CCOC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)CC(C)C4=CN=CC=C4

Isomeric SMILES

CC1=CN(C(=N1)C)CCOC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)CC(C)C4=CN=CC=C4

InChI

InChI=1S/C25H28N6O3S/c1-16(19-5-4-7-27-13-19)11-23(32)29-24-21(12-26)20-6-8-31(15-22(20)35-24)25(33)34-10-9-30-14-17(2)28-18(30)3/h4-5,7,13-14,16H,6,8-11,15H2,1-3H3,(H,29,32)