4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodithiin-2-yl]phenol

Systemtic Name: 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodithiin-2-yl]phenol Openeye Name: 4-[3-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzodithiin-2-yl]phenol CAS Name: 4-[3-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzodithiin-2-yl]phenol IUPAC Name: 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodithiin-2-yl]phenol Traditional Name: 4-[3-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzodithiin-2-yl]phenol Formula: C27H29NO2S2 MolecularWeight: 463.65466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=CC=CC=C4S3)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=CC=CC=C4S3)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H29NO2S2/c29-22-12-8-20(9-13-22)26-27(32-25-7-3-2-6-24(25)31-26)21-10-14-23(15-11-21)30-19-18-28-16-4-1-5-17-28/h2-3,6-15,26-27,29H,1,4-5,16-19H2