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

Systemtic Name: (2S,3R)-3-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-cyclopentyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-3-cyclopentyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-3-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-cyclopentyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C26H33NO3S MolecularWeight: 439.61012

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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)C5CCCC5

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5CCCC5

InChI

InChI=1S/C26H33NO3S/c28-21-10-13-23-24(18-21)31-26(20-6-2-3-7-20)25(30-23)19-8-11-22(12-9-19)29-17-16-27-14-4-1-5-15-27/h8-13,18,20,25-26,28H,1-7,14-17H2/t25-,26+/m0/s1