1-[7-(1-benzothiophen-3-yl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-[[(3S)-3-oxolanyl]oxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone Formula: C27H25NO4S2 MolecularWeight: 491.6217

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=CC(=CC3=C2OCCN(C3)C(=O)CC4=CSC=C4)C5=CSC6=CC=CC=C65

Isomeric SMILES

C1COC[C@H]1OC2=CC(=CC3=C2OCCN(C3)C(=O)CC4=CSC=C4)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C27H25NO4S2/c29-26(11-18-6-10-33-16-18)28-7-9-31-27-20(14-28)12-19(13-24(27)32-21-5-8-30-15-21)23-17-34-25-4-2-1-3-22(23)25/h1-4,6,10,12-13,16-17,21H,5,7-9,11,14-15H2/t21-/m0/s1