(2S,3S)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-thiophen-2-yl-2,3-dihydro-1,4-benzoxathiin-6-ol

Systemtic Name: (2S,3S)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-thiophen-2-yl-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3S)-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-3-(2-thienyl)-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3S)-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-3-thiophen-2-yl-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3S)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-thiophen-2-yl-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3S)-2-[4-(2-piperidinoethoxy)phenyl]-3-(2-thienyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C25H27NO3S2 MolecularWeight: 453.61678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC=CS5

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC=CS5

InChI

InChI=1S/C25H27NO3S2/c27-19-8-11-21-23(17-19)31-25(22-5-4-16-30-22)24(29-21)18-6-9-20(10-7-18)28-15-14-26-12-2-1-3-13-26/h4-11,16-17,24-25,27H,1-3,12-15H2/t24-,25+/m0/s1