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

Systemtic Name: 2-[4-[2-(2,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: 2-[4-[2-(2,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: 2-[4-[2-(2,4-dimethyl-1-pyrrolidinyl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: 2-[4-[2-(2,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: 2-[4-[2-(2,4-dimethylpyrrolidino)ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O)C

Isomeric SMILES

CC1CC(N(C1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O)C

InChI

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