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

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-ethylsulfanyl-benzamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-ethylsulfanyl-benzamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(ethylthio)benzamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-ethylsulfanylbenzamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-(ethylthio)benzamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC)OCC(C1=O)(C)C

InChI

InChI=1S/C22H26N2O3S/c1-5-24-17-12-11-15(13-18(17)27-14-22(3,4)21(24)26)23-20(25)16-9-7-8-10-19(16)28-6-2/h7-13H,5-6,14H2,1-4H3,(H,23,25)