(1R)-2,2-diphenyl-1-[4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]ethanol

Systemtic Name: (1R)-2,2-diphenyl-1-[4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]ethanol Openeye Name: (1R)-2,2-diphenyl-1-(4-tetrahydrothiopyran-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)ethanol CAS Name: (1R)-2,2-diphenyl-1-[4-(4-thianyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]ethanol IUPAC Name: (1R)-2,2-diphenyl-1-[4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]ethanol Traditional Name: (1R)-2,2-diphenyl-1-(4-tetrahydrothiopyran-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)ethanol Formula: C28H31NO2S MolecularWeight: 445.61624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1N2CCOC3=C(C2)C=C(C=C3)C(C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1CSCCC1N2CCOC3=C(C2)C=C(C=C3)[C@@H](C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H31NO2S/c30-28(27(21-7-3-1-4-8-21)22-9-5-2-6-10-22)23-11-12-26-24(19-23)20-29(15-16-31-26)25-13-17-32-18-14-25/h1-12,19,25,27-28,30H,13-18,20H2/t28-/m0/s1