N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-[(4-fluorophenyl)thio]acetamide Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F)OCC(C1=O)(C)C

InChI

InChI=1S/C21H23FN2O3S/c1-4-24-17-10-7-15(11-18(17)27-13-21(2,3)20(24)26)23-19(25)12-28-16-8-5-14(22)6-9-16/h5-11H,4,12-13H2,1-3H3,(H,23,25)