tert-butyl 3-[6-[4-oxidanylidene-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]pyridin-2-yl]propanoate

Systemtic Name: tert-butyl 3-[6-[4-oxidanylidene-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]pyridin-2-yl]propanoate Openeye Name: tert-butyl 3-[6-[4-oxo-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]-2-pyridyl]propanoate CAS Name: 3-[6-[4-oxo-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]-2-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-[4-oxo-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]pyridin-2-yl]propanoate Traditional Name: 3-[6-[4-keto-7-(trifluoromethyl)-1,3-benzothiazin-2-yl]-2-pyridyl]propionic acid tert-butyl ester Formula: C21H19F3N2O3S MolecularWeight: 436.44737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O3S/c1-20(2,3)29-17(27)10-8-13-5-4-6-15(25-13)19-26-18(28)14-9-7-12(21(22,23)24)11-16(14)30-19/h4-7,9,11H,8,10H2,1-3H3