5-chloranyl-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol

Systemtic Name: 5-chloranyl-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: 5-chloro-3-phenyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: 5-chloro-3-phenyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: 5-chloro-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: 5-chloro-3-phenyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C27H28ClNO3S MolecularWeight: 482.03412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4Cl)O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4Cl)O)C5=CC=CC=C5

InChI

InChI=1S/C27H28ClNO3S/c28-24-22(30)13-14-23-27(24)33-26(20-7-3-1-4-8-20)25(32-23)19-9-11-21(12-10-19)31-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,25-26,30H,2,5-6,15-18H2