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

Systemtic Name: (2S,3R)-3-tert-butyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-tert-butyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-3-tert-butyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-3-tert-butyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-tert-butyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C25H33NO3S MolecularWeight: 427.59942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(OC2=C(S1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4

Isomeric SMILES

CC(C)(C)[C@@H]1[C@@H](OC2=C(S1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4

InChI

InChI=1S/C25H33NO3S/c1-25(2,3)24-23(29-21-12-9-19(27)17-22(21)30-24)18-7-10-20(11-8-18)28-16-15-26-13-5-4-6-14-26/h7-12,17,23-24,27H,4-6,13-16H2,1-3H3/t23-,24-/m0/s1