4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[1-oxo-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C16H13F3N4O3S MolecularWeight: 398.35963

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)CSC3=NC=CC(=N3)C(F)(F)F)C(=O)N

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)CSC3=NC=CC(=N3)C(F)(F)F)C(=O)N

InChI

InChI=1S/C16H13F3N4O3S/c17-16(18,19)12-5-6-21-15(22-12)27-8-13(24)23-7-11(14(20)25)26-10-4-2-1-3-9(10)23/h1-6,11H,7-8H2,(H2,20,25)