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

Systemtic Name: 2-pyridin-3-ylethyl 3-cyano-2-(3-pyridin-2-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(3-pyridyl)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-(3-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-3-ylethyl 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-(3-pyridyl)ethyl ester Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCCC3=CN=CC=C3)C#N)C4=CC=CC=N4

Isomeric SMILES

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCCC3=CN=CC=C3)C#N)C4=CC=CC=N4

InChI

InChI=1S/C25H25N5O3S/c1-17(21-6-2-3-10-28-21)13-23(31)29-24-20(14-26)19-7-11-30(16-22(19)34-24)25(32)33-12-8-18-5-4-9-27-15-18/h2-6,9-10,15,17H,7-8,11-13,16H2,1H3,(H,29,31)