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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodithiin-6-ol Openeye Name: 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodithiin-6-ol CAS Name: 3-(4-hydroxyphenyl)-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzodithiin-6-ol IUPAC Name: 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodithiin-6-ol Traditional Name: 3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidinoethoxy)phenyl]-2,3-dihydro-1,4-benzodithiin-6-ol Formula: C26H27NO3S2 MolecularWeight: 465.62748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO3S2/c28-20-7-3-18(4-8-20)26-25(31-23-12-9-21(29)17-24(23)32-26)19-5-10-22(11-6-19)30-16-15-27-13-1-2-14-27/h3-12,17,25-26,28-29H,1-2,13-16H2