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

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)C)C3=CSC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)C)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H21NO3S/c1-3-24-19-11-15(18-13-26-20-7-5-4-6-17(18)20)10-16-12-22(14(2)23)8-9-25-21(16)19/h4-7,10-11,13H,3,8-9,12H2,1-2H3