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

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

CC1CN(CC1C)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]1CN(C[C@@H]1C)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/C28H31NO4S.ClH/c1-18-16-29(17-19(18)2)13-14-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27;/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3;1H/t18-,19+,27-,28+;/m0./s1