tert-butyl N-[5-[6-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentyl]carbamate

Systemtic Name: tert-butyl N-[5-[6-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentyl]carbamate Openeye Name: tert-butyl N-[5-[6-(3-oxo-4H-1,4-benzoxazin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentyl]carbamate CAS Name: N-[5-[6-(3-oxo-4H-1,4-benzoxazin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[6-(3-oxo-4H-1,4-benzoxazin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentyl]carbamate Traditional Name: N-[5-[6-(3-keto-4H-1,4-benzoxazin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]pentyl]carbamic acid tert-butyl ester Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC1=NN=C2N1N=C(CS2)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC1=NN=C2N1N=C(CS2)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H28N6O4S/c1-22(2,3)32-21(30)23-10-6-4-5-7-18-25-26-20-28(18)27-16(13-33-20)14-8-9-17-15(11-14)24-19(29)12-31-17/h8-9,11H,4-7,10,12-13H2,1-3H3,(H,23,30)(H,24,29)