N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-(2-thienyl)acetamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-(2-thienyl)acetamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)OCC(C1=O)(C)C

InChI

InChI=1S/C21H26N2O3S/c1-14(2)12-23-17-10-15(22-19(24)11-16-6-5-9-27-16)7-8-18(17)26-13-21(3,4)20(23)25/h5-10,14H,11-13H2,1-4H3,(H,22,24)