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

Systemtic Name: 2-(2-methylimidazol-1-yl)ethyl 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(2-methylimidazol-1-yl)ethyl 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[(1-oxo-3-phenylbutyl)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-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(3-phenylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-(2-methylimidazol-1-yl)ethyl ester Formula: C25H27N5O3S MolecularWeight: 477.57858

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3S/c1-17(19-6-4-3-5-7-19)14-23(31)28-24-21(15-26)20-8-10-30(16-22(20)34-24)25(32)33-13-12-29-11-9-27-18(29)2/h3-7,9,11,17H,8,10,12-14,16H2,1-2H3,(H,28,31)