tert-butyl 5-azanyl-8-cyano-3-oxidanylidene-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

Systemtic Name: tert-butyl 5-azanyl-8-cyano-3-oxidanylidene-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate Openeye Name: tert-butyl 5-amino-8-cyano-3-oxo-7-(4-pyridyl)-2-(4-pyridylmethylene)-7H-thiazolo[3,2-a]pyridine-6-carboxylate CAS Name: 5-amino-8-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-thiazolo[3,2-a]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-8-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate Traditional Name: 5-amino-8-cyano-3-keto-7-(4-pyridyl)-2-(4-pyridylmethylene)-7H-thiazolo[3,2-a]pyridine-6-carboxylic acid tert-butyl ester Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N2C(=C(C1C3=CC=NC=C3)C#N)SC(=CC4=CC=NC=C4)C2=O)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N2C(=C(C1C3=CC=NC=C3)C#N)SC(=CC4=CC=NC=C4)C2=O)N

InChI

InChI=1S/C24H21N5O3S/c1-24(2,3)32-23(31)19-18(15-6-10-28-11-7-15)16(13-25)22-29(20(19)26)21(30)17(33-22)12-14-4-8-27-9-5-14/h4-12,18H,26H2,1-3H3