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

Systemtic Name: 5-(5-ethyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[5-ethyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-2-fluoro-benzonitrile CAS Name: 5-(5-ethyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile IUPAC Name: 5-(5-ethyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile Traditional Name: 5-[5-ethyl-2-keto-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-2-fluoro-benzonitrile Formula: C22H17FN2O2S MolecularWeight: 392.445983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)C#N)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)C#N)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C22H17FN2O2S/c1-2-22(20-4-3-9-28-20)17-11-15(6-8-19(17)25-21(26)13-27-22)14-5-7-18(23)16(10-14)12-24/h3-11H,2,13H2,1H3,(H,25,26)