2-(1,3-benzodioxol-5-yl)-1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C23H21NO5S/c1-26-20-12-16(21-3-2-8-30-21)11-17-13-24(6-7-27-23(17)20)22(25)10-15-4-5-18-19(9-15)29-14-28-18/h2-5,8-9,11-12H,6-7,10,13-14H2,1H3