(2S,3R)-3-(4-Hydroxyphenyl)-2-(4-{[(2S)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-OL (Q27457284)

CHEMBL180300 (English)

(2S,3R)-3-(4-Hydroxyphenyl)-2-(4-{[(2R)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-OL

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₇H₂₉NO₄S

1 reference

CHEMBL180300 (English)

19 October 2016

canonical SMILES

CC(COC1=CC=C(C=C1)C2C(SC3=C(O2)C=CC(=C3)O)C4=CC=C(C=C4)O)N5CCCC5

1 reference

CHEMBL180300 (English)

19 October 2016

isomeric SMILES

C[C@@H](COC1=CC=C(C=C1)[C@H]2[C@H](SC3=C(O2)C=CC(=C3)O)C4=CC=C(C=C4)O)N5CCCC5

1 reference

CHEMBL180300 (English)

InChI=1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26-,27+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL180300 (English)

UZOOIPXOYYJULJ-RHLLTPQKSA-N

19 October 2016

InChIKey

1 reference

CHEMBL180300 (English)

19 October 2016

1 reference

(2S,3R)-3-(4-Hydroxyphenyl)-2-{4-[(2S)-2-(1-pyrrolidinyl)propoxy]phenyl}-2,3-dihydro-1,4-benzoxathiin-6-ol (English)

19 October 2016

1 reference

CHEMBL180300 (English)

19 October 2016

1 reference

CHEMBL180300 (English)

19 October 2016

1 reference

0 references

0 references

1 reference

1XP9 (English)