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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[7-(benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[7-(benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C27H23NO5S MolecularWeight: 473.54022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)C5=CSC6=CC=CC=C65

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C27H23NO5S/c1-30-24-13-18(21-15-34-25-5-3-2-4-20(21)25)12-19-14-28(8-9-31-27(19)24)26(29)11-17-6-7-22-23(10-17)33-16-32-22/h2-7,10,12-13,15H,8-9,11,14,16H2,1H3