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

Systemtic Name: 1-[7-dibenzothiophen-2-yl-9-[[(3S)-oxolan-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone Openeye Name: 1-[7-dibenzothiophen-2-yl-9-[[(3S)-tetrahydrofuran-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone CAS Name: 1-[7-(2-dibenzothiophenyl)-9-[[(3S)-3-oxolanyl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxyethanone IUPAC Name: 1-[7-dibenzothiophen-2-yl-9-[[(3S)-oxolan-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxyethanone Traditional Name: 1-[7-dibenzothiophen-2-yl-9-[[(3S)-tetrahydrofuran-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone Formula: C29H29NO5S MolecularWeight: 503.60926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCOC3)C4=CC5=C(C=C4)SC6=CC=CC=C65

Isomeric SMILES

COCC(=O)N1CCOC2=C(C1)C=C(C=C2OC[C@H]3CCOC3)C4=CC5=C(C=C4)SC6=CC=CC=C65

InChI

InChI=1S/C29H29NO5S/c1-32-18-28(31)30-9-11-34-29-22(15-30)12-21(14-25(29)35-17-19-8-10-33-16-19)20-6-7-27-24(13-20)23-4-2-3-5-26(23)36-27/h2-7,12-14,19H,8-11,15-18H2,1H3/t19-/m0/s1