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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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