[(1S)-1-cyanoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate Openeye Name: [(1S)-1-cyanoethyl] 5-phenyl-2-(1-piperidyl)thiazolo[4,5-b]pyridine-7-carboxylate CAS Name: 5-phenyl-2-(1-piperidinyl)-7-thiazolo[4,5-b]pyridinecarboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate Traditional Name: 5-phenyl-2-piperidino-thiazolo[4,5-b]pyridine-7-carboxylic acid [(1S)-1-cyanoethyl] ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=NC2=C1SC(=N2)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C#N)OC(=O)C1=CC(=NC2=C1SC(=N2)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-14(13-22)27-20(26)16-12-17(15-8-4-2-5-9-15)23-19-18(16)28-21(24-19)25-10-6-3-7-11-25/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/t14-/m0/s1