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

Systemtic Name: 2-imidazol-1-ylethyl 3-cyano-2-(3-pyridin-3-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-imidazol-1-ylethyl 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-(1-imidazolyl)ethyl ester IUPAC Name: 2-imidazol-1-ylethyl 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-imidazol-1-ylethyl ester Formula: C23H24N6O3S MolecularWeight: 464.54006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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