6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,12-dihydro-[1]benzothiolo[3,2-c][1]benzoxepin-9-ol

Systemtic Name: 6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,12-dihydro-[1]benzothiolo[3,2-c][1]benzoxepin-9-ol Openeye Name: 6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,12-dihydrobenzothiopheno[3,2-c][1]benzoxepin-9-ol CAS Name: 6-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-6,12-dihydro-[1]benzothiolo[3,2-c][1]benzoxepin-9-ol IUPAC Name: 6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-6,12-dihydro-[1]benzothiolo[3,2-c][1]benzoxepin-9-ol Traditional Name: 6-[4-(2-pyrrolidinoethoxy)phenyl]-6,12-dihydrobenzothiopheno[3,2-c][1]benzoxepin-9-ol Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3C4=C(CC5=CC=CC=C5O3)SC6=C4C=CC(=C6)O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3C4=C(CC5=CC=CC=C5O3)SC6=C4C=CC(=C6)O

InChI

InChI=1S/C28H27NO3S/c30-21-9-12-23-25(18-21)33-26-17-20-5-1-2-6-24(20)32-28(27(23)26)19-7-10-22(11-8-19)31-16-15-29-13-3-4-14-29/h1-2,5-12,18,28,30H,3-4,13-17H2