(2S,3R)-2-[3-bromanyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodithiin-6-ol

Systemtic Name: (2S,3R)-2-[3-bromanyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodithiin-6-ol Openeye Name: (2S,3R)-2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodithiin-6-ol CAS Name: (2S,3R)-2-[3-bromo-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodithiin-6-ol IUPAC Name: (2S,3R)-2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodithiin-6-ol Traditional Name: (2S,3R)-2-[3-bromo-4-(2-pyrrolidinoethoxy)phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodithiin-6-ol Formula: C26H26BrNO3S2 MolecularWeight: 544.52354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=C(C=C(C=C2)C3C(SC4=C(S3)C=CC(=C4)O)C5=CC=C(C=C5)O)Br

Isomeric SMILES

C1CCN(C1)CCOC2=C(C=C(C=C2)[C@H]3[C@H](SC4=C(S3)C=CC(=C4)O)C5=CC=C(C=C5)O)Br

InChI

InChI=1S/C26H26BrNO3S2/c27-21-15-18(5-9-22(21)31-14-13-28-11-1-2-12-28)26-25(17-3-6-19(29)7-4-17)33-24-16-20(30)8-10-23(24)32-26/h3-10,15-16,25-26,29-30H,1-2,11-14H2/t25-,26+/m1/s1