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

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)acetamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)acetamide Traditional Name: 2-(benzylthio)-N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CSCC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CSCC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C22H26N2O3S/c1-4-24-18-11-10-17(12-19(18)27-15-22(2,3)21(24)26)23-20(25)14-28-13-16-8-6-5-7-9-16/h5-12H,4,13-15H2,1-3H3,(H,23,25)