1-[7-(1-benzothiophen-3-yl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one Openeye Name: 1-[7-(benzothiophen-3-yl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-(3-oxolanyloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-1-butanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethylbutan-1-one Traditional Name: 1-[7-(benzothiophen-3-yl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCOC2=C(C1)C=C(C=C2OC3CCOC3)C4=CSC5=CC=CC=C54

Isomeric SMILES

CCC(CC)C(=O)N1CCOC2=C(C1)C=C(C=C2OC3CCOC3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C27H31NO4S/c1-3-18(4-2)27(29)28-10-12-31-26-20(15-28)13-19(14-24(26)32-21-9-11-30-16-21)23-17-33-25-8-6-5-7-22(23)25/h5-8,13-14,17-18,21H,3-4,9-12,15-16H2,1-2H3