cyanomethyl 5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(=O)OCC#N)SC(=N3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(=O)OCC#N)SC(=N3)N4CCCCC4

InChI

InChI=1S/C21H20N4O2S/c1-14-5-7-15(8-6-14)17-13-16(20(26)27-12-9-22)18-19(23-17)24-21(28-18)25-10-3-2-4-11-25/h5-8,13H,2-4,10-12H2,1H3