(2S,3R)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,4-benzoxathiin-6-ol

Systemtic Name: (2S,3R)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-3-(4-pyridyl)-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-3-pyridin-4-yl-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-2-[4-(2-piperidinoethoxy)phenyl]-3-(4-pyridyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C26H28N2O3S MolecularWeight: 448.57712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC=NC=C5

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC=NC=C5

InChI

InChI=1S/C26H28N2O3S/c29-21-6-9-23-24(18-21)32-26(20-10-12-27-13-11-20)25(31-23)19-4-7-22(8-5-19)30-17-16-28-14-2-1-3-15-28/h4-13,18,25-26,29H,1-3,14-17H2/t25-,26+/m0/s1