2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]ethanamide

Systemtic Name: 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]ethanamide Openeye Name: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]acetamide CAS Name: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]acetamide IUPAC Name: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidino-4-pyridyl)methyl]acetamide Formula: C21H21F3N4O2S MolecularWeight: 450.47725

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O2S/c22-21(23,24)14-3-4-16-15(10-14)27-20(30)17(31-16)11-19(29)26-12-13-5-6-25-18(9-13)28-7-1-2-8-28/h3-6,9-10,17H,1-2,7-8,11-12H2,(H,26,29)(H,27,30)