4-(4-methylphenyl)-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one

Systemtic Name: 4-(4-methylphenyl)-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one Openeye Name: 4-(p-tolyl)-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one CAS Name: 4-(4-methylphenyl)-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one IUPAC Name: 4-(4-methylphenyl)-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one Traditional Name: 4-(p-tolyl)-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one Formula: C16H12F3NO2S MolecularWeight: 339.33219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(NC(=O)OC3=CC=CC=C3S2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2(NC(=O)OC3=CC=CC=C3S2)C(F)(F)F

InChI

InChI=1S/C16H12F3NO2S/c1-10-6-8-11(9-7-10)15(16(17,18)19)20-14(21)22-12-4-2-3-5-13(12)23-15/h2-9H,1H3,(H,20,21)