tert-butyl 4-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H24F3N3O4S MolecularWeight: 459.48247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H24F3N3O4S/c1-19(2,3)30-18(29)26-8-6-25(7-9-26)16(27)11-15-17(28)24-13-10-12(20(21,22)23)4-5-14(13)31-15/h4-5,10,15H,6-9,11H2,1-3H3,(H,24,28)