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

Systemtic Name: 2-(4-methylimidazol-1-yl)ethyl 3-cyano-2-(3-pyridin-3-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(4-methylimidazol-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-(4-methyl-1-imidazolyl)ethyl ester IUPAC Name: 2-(4-methylimidazol-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-(4-methylimidazol-1-yl)ethyl ester Formula: C24H26N6O3S MolecularWeight: 478.56664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O3S/c1-16(18-4-3-6-26-12-18)10-22(31)28-23-20(11-25)19-5-7-30(14-21(19)34-23)24(32)33-9-8-29-13-17(2)27-15-29/h3-4,6,12-13,15-16H,5,7-10,14H2,1-2H3,(H,28,31)