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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-thiophen-2-yl-ethanamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-(2-thienyl)acetamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-thiophen-2-ylacetamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-thiophen-2-ylacetamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-(2-thienyl)acetamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)OCC(C1=O)(C)C

InChI

InChI=1S/C20H24N2O3S/c1-4-9-22-16-11-14(21-18(23)12-15-6-5-10-26-15)7-8-17(16)25-13-20(2,3)19(22)24/h5-8,10-11H,4,9,12-13H2,1-3H3,(H,21,23)