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

Systemtic Name: (2S,3R)-3-(3-hydroxyphenyl)-2-[4-[(2S)-2-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-(3-hydroxyphenyl)-2-[4-[(2S)-2-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-3-(3-hydroxyphenyl)-2-[4-[(2S)-2-[(2S)-2-methyl-1-pyrrolidinyl]propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-3-(3-hydroxyphenyl)-2-[4-[(2S)-2-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-(3-hydroxyphenyl)-2-[4-[(2S)-2-[(2S)-2-methylpyrrolidino]propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C(C)COC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O

Isomeric SMILES

C[C@H]1CCCN1[C@@H](C)COC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O

InChI

InChI=1S/C28H31NO4S/c1-18-5-4-14-29(18)19(2)17-32-24-11-8-20(9-12-24)27-28(21-6-3-7-22(30)15-21)34-26-16-23(31)10-13-25(26)33-27/h3,6-13,15-16,18-19,27-28,30-31H,4-5,14,17H2,1-2H3/t18-,19-,27-,28+/m0/s1