tert-butyl 2-cyano-5-(9-fluoranyl-5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(9-fluoranyl-5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-[9-fluoro-5-methyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate CAS Name: 2-cyano-5-(9-fluoro-5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(9-fluoro-5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-[9-fluoro-2-keto-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C24H22FN3O4S MolecularWeight: 467.512583

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)F)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C(=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)F)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C24H22FN3O4S/c1-23(2,3)32-22(30)28-15(12-26)7-8-18(28)14-10-16-21(17(25)11-14)27-20(29)13-31-24(16,4)19-6-5-9-33-19/h5-11H,13H2,1-4H3,(H,27,29)