4-(2-cyclopropylethynyl)-6-(2-methyl-1,3-dithian-2-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: 4-(2-cyclopropylethynyl)-6-(2-methyl-1,3-dithian-2-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 4-(2-cyclopropylethynyl)-6-(2-methyl-1,3-dithian-2-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 4-(2-cyclopropylethynyl)-6-(2-methyl-1,3-dithian-2-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 4-(2-cyclopropylethynyl)-6-(2-methyl-1,3-dithian-2-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 4-(2-cyclopropylethynyl)-6-(2-methyl-1,3-dithian-2-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C19H18F3NO2S2 MolecularWeight: 413.47693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(SCCCS1)C2=CC3=C(C=C2)NC(=O)OC3(C#CC4CC4)C(F)(F)F

Isomeric SMILES

CC1(SCCCS1)C2=CC3=C(C=C2)NC(=O)OC3(C#CC4CC4)C(F)(F)F

InChI

InChI=1S/C19H18F3NO2S2/c1-17(26-9-2-10-27-17)13-5-6-15-14(11-13)18(19(20,21)22,25-16(24)23-15)8-7-12-3-4-12/h5-6,11-12H,2-4,9-10H2,1H3,(H,23,24)