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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-thiophen-2-yl-ethanamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-(2-thienyl)acetamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-thiophen-2-ylacetamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-thiophen-2-ylacetamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-(2-thienyl)acetamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)CC3=CC=CS3)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)CC3=CC=CS3)N(C1=O)CC=C)C

InChI

InChI=1S/C20H22N2O3S/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/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,21,23)