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

Systemtic Name: pyridin-2-ylmethyl 3-cyano-2-(3-pyridin-2-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-pyridylmethyl 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-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 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-pyridylmethyl ester Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC3=CC=CC=N3)C#N)C4=CC=CC=N4

Isomeric SMILES

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC3=CC=CC=N3)C#N)C4=CC=CC=N4

InChI

InChI=1S/C24H23N5O3S/c1-16(20-7-3-5-10-27-20)12-22(30)28-23-19(13-25)18-8-11-29(14-21(18)33-23)24(31)32-15-17-6-2-4-9-26-17/h2-7,9-10,16H,8,11-12,14-15H2,1H3,(H,28,30)