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

Systemtic Name: 2-[[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[7-(benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-methoxyphenol IUPAC Name: 2-[[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[7-(benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-methoxy-phenol Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CN2CCOC3=C(C2)C=C(C=C3OC)C4=CSC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=C(C=C1)O)CN2CCOC3=C(C2)C=C(C=C3OC)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C26H25NO4S/c1-29-20-7-8-23(28)18(12-20)14-27-9-10-31-26-19(15-27)11-17(13-24(26)30-2)22-16-32-25-6-4-3-5-21(22)25/h3-8,11-13,16,28H,9-10,14-15H2,1-2H3