CAS 174819-21-7 SE 563 - Analytical Products / Alfa Chemistry

CAT	APS174819217
CAS	174819-21-7
Synonyms	2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-, (4S)-, 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-, (S)-, SE 563, 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-, (4S)- (9CI)
IUPAC Name	(4S)-6-chloro-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3,1-benzoxazin-2-one
Molecular Weight	435.82
Molecular Formula	C22H17ClF3NO3
Canonical SMILES	COc1ccc(CN2C(=O)O[C@@](C#CC3CC3)(c4cc(Cl)ccc24)C(F)(F)F)cc1
InChI	InChI=1S/C22H17ClF3NO3/c1-29-17-7-4-15(5-8-17)13-27-19-9-6-16(23)12-18(19)21(22(24,25)26,30-20(27)28)11-10-14-2-3-14/h4-9,12,14H,2-3,13H2,1H3/t21-/m0/s1