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

Systemtic Name: 3-fluoranyl-5-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile Openeye Name: 3-fluoro-5-[5-methyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile CAS Name: 3-fluoro-5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile IUPAC Name: 3-fluoro-5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile Traditional Name: 3-fluoro-5-[2-keto-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile Formula: C21H15FN2O2S MolecularWeight: 378.419403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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