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

Systemtic Name: 5-methoxy-2-[[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Openeye Name: 5-methoxy-2-[[7-(5-methyl-2-thienyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol CAS Name: 5-methoxy-2-[[7-(5-methyl-2-thiophenyl)-9-(2-oxanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol IUPAC Name: 5-methoxy-2-[[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Traditional Name: 5-methoxy-2-[[7-(5-methyl-2-thienyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCC4CCCCO4)OCCN(C3)CC5=C(C=C(C=C5)OC)O

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCC4CCCCO4)OCCN(C3)CC5=C(C=C(C=C5)OC)O

InChI

InChI=1S/C28H33NO5S/c1-19-6-9-27(35-19)21-13-22-17-29(16-20-7-8-23(31-2)15-25(20)30)10-12-33-28(22)26(14-21)34-18-24-5-3-4-11-32-24/h6-9,13-15,24,30H,3-5,10-12,16-18H2,1-2H3