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

Systemtic Name: 5-(5-ethyl-1-methyl-2-oxidanylidene-5-thiophen-2-yl-4,1-benzoxazepin-7-yl)-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[5-ethyl-1-methyl-2-oxo-5-(2-thienyl)-4,1-benzoxazepin-7-yl]-2-fluoro-benzonitrile CAS Name: 5-(5-ethyl-1-methyl-2-oxo-5-thiophen-2-yl-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile IUPAC Name: 5-(5-ethyl-1-methyl-2-oxo-5-thiophen-2-yl-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile Traditional Name: 5-[5-ethyl-2-keto-1-methyl-5-(2-thienyl)-4,1-benzoxazepin-7-yl]-2-fluoro-benzonitrile Formula: C23H19FN2O2S MolecularWeight: 406.472563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN2O2S/c1-3-23(21-5-4-10-29-21)18-12-16(15-6-8-19(24)17(11-15)13-25)7-9-20(18)26(2)22(27)14-28-23/h4-12H,3,14H2,1-2H3