tert-butyl 5-azanyl-8-cyano-3-oxidanylidene-7-phenyl-2-(phenylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

Systemtic Name: tert-butyl 5-azanyl-8-cyano-3-oxidanylidene-7-phenyl-2-(phenylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate Openeye Name: tert-butyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-thiazolo[3,2-a]pyridine-6-carboxylate CAS Name: 5-amino-8-cyano-3-oxo-7-phenyl-2-(phenylmethylene)-7H-thiazolo[3,2-a]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate Traditional Name: 5-amino-2-benzal-8-cyano-3-keto-7-phenyl-7H-thiazolo[3,2-a]pyridine-6-carboxylic acid tert-butyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O3S/c1-26(2,3)32-25(31)21-20(17-12-8-5-9-13-17)18(15-27)24-29(22(21)28)23(30)19(33-24)14-16-10-6-4-7-11-16/h4-14,20H,28H2,1-3H3