5-(9-fluoranyl-5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile

Systemtic Name: 5-(9-fluoranyl-5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[9-fluoro-5-methyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-(9-fluoro-5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(9-fluoro-5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[9-fluoro-2-keto-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C19H14FN3O2S MolecularWeight: 367.396763

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC(=C2)C3=CC=C(N3)C#N)F)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C(=CC(=C2)C3=CC=C(N3)C#N)F)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C19H14FN3O2S/c1-19(16-3-2-6-26-16)13-7-11(15-5-4-12(9-21)22-15)8-14(20)18(13)23-17(24)10-25-19/h2-8,22H,10H2,1H3,(H,23,24)