5-methyl-5-thiophen-2-yl-7-[3-(trifluoromethyl)phenyl]-1H-4,1-benzoxazepin-2-one

Systemtic Name: 5-methyl-5-thiophen-2-yl-7-[3-(trifluoromethyl)phenyl]-1H-4,1-benzoxazepin-2-one Openeye Name: 5-methyl-5-(2-thienyl)-7-[3-(trifluoromethyl)phenyl]-1H-4,1-benzoxazepin-2-one CAS Name: 5-methyl-5-thiophen-2-yl-7-[3-(trifluoromethyl)phenyl]-1H-4,1-benzoxazepin-2-one IUPAC Name: 5-methyl-5-thiophen-2-yl-7-[3-(trifluoromethyl)phenyl]-1H-4,1-benzoxazepin-2-one Traditional Name: 5-methyl-5-(2-thienyl)-7-[3-(trifluoromethyl)phenyl]-1H-4,1-benzoxazepin-2-one Formula: C21H16F3NO2S MolecularWeight: 403.41745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)C(F)(F)F)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC(=CC=C3)C(F)(F)F)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C21H16F3NO2S/c1-20(18-6-3-9-28-18)16-11-14(7-8-17(16)25-19(26)12-27-20)13-4-2-5-15(10-13)21(22,23)24/h2-11H,12H2,1H3,(H,25,26)