(2S,3R)-3-(4-hydroxyphenyl)-2-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride

Systemtic Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Openeye Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride CAS Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[4-[2-[(3R)-3-methyl-1-pyrrolidinyl]ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride IUPAC Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Traditional Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[4-[2-[(3R)-3-methylpyrrolidino]ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Formula: C27H30ClNO4S MolecularWeight: 500.0494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

C[C@@H]1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C27H29NO4S.ClH/c1-18-12-13-28(17-18)14-15-31-23-9-4-19(5-10-23)26-27(20-2-6-21(29)7-3-20)33-25-16-22(30)8-11-24(25)32-26;/h2-11,16,18,26-27,29-30H,12-15,17H2,1H3;1H/t18-,26+,27-;/m1./s1