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

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Openeye Name: 1-[7-(benzothiophen-3-yl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-(3-oxolanyloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-penten-1-one IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Traditional Name: 1-[7-(benzothiophen-3-yl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4S/c1-2-3-8-25(28)27-10-12-30-26-19(15-27)13-18(14-23(26)31-20-9-11-29-16-20)22-17-32-24-7-5-4-6-21(22)24/h2,4-7,13-14,17,20H,1,3,8-12,15-16H2