tert-butyl 3-cyano-2-(3-pyridin-3-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: tert-butyl 3-cyano-2-(3-pyridin-3-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 3-cyano-2-[3-(3-pyridyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[1-oxo-3-(3-pyridinyl)propyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-2-(3-pyridin-3-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(3-pyridyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-21(2,3)28-20(27)25-10-8-15-16(11-22)19(29-17(15)13-25)24-18(26)7-6-14-5-4-9-23-12-14/h4-5,9,12H,6-8,10,13H2,1-3H3,(H,24,26)