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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide Traditional Name: N-(3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)-2-(2-thienyl)acetamide Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)OCC(=O)N1CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N2O5S/c26-22(10-18-2-1-7-31-18)24-17-4-6-19-16(9-17)12-25(23(27)13-28-19)11-15-3-5-20-21(8-15)30-14-29-20/h1-9H,10-14H2,(H,24,26)