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

Systemtic Name: (2S,3R)-2-[4-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Openeye Name: (2S,3R)-2-[4-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride CAS Name: (2S,3R)-2-[4-[2-(3,3-dimethyl-1-pyrrolidinyl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride IUPAC Name: (2S,3R)-2-[4-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Traditional Name: (2S,3R)-2-[4-[2-(3,3-dimethylpyrrolidino)ethoxy]phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Formula: C28H32ClNO4S MolecularWeight: 514.07598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O)C.Cl

Isomeric SMILES

CC1(CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O)C.Cl

InChI

InChI=1S/C28H31NO4S.ClH/c1-28(2)13-14-29(18-28)15-16-32-23-10-5-19(6-11-23)26-27(20-3-7-21(30)8-4-20)34-25-17-22(31)9-12-24(25)33-26;/h3-12,17,26-27,30-31H,13-16,18H2,1-2H3;1H/t26-,27+;/m0./s1