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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCOC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)CC(C)C4=CC=CC=N4

Isomeric SMILES

CC1=NC=CN1CCOC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)CC(C)C4=CC=CC=N4

InChI

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