2-(2-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-(2-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-(2-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-(2-methyl-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-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-(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=CN=CC=C4

Isomeric SMILES

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

InChI

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