2-fluoranyl-5-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile

Systemtic Name: 2-fluoranyl-5-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile Openeye Name: 2-fluoro-5-[5-methyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile CAS Name: 2-fluoro-5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile IUPAC Name: 2-fluoro-5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile Traditional Name: 2-fluoro-5-[2-keto-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile Formula: C21H15FN2O2S MolecularWeight: 378.419403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15FN2O2S/c1-21(19-3-2-8-27-19)16-10-14(5-7-18(16)24-20(25)12-26-21)13-4-6-17(22)15(9-13)11-23/h2-10H,12H2,1H3,(H,24,25)