(2R,3R)-3-[[4-(2-octoxypyrimidin-5-yl)phenoxy]methyl]-2-octyl-thietane 1,1-dioxide

Systemtic Name: (2R,3R)-3-[[4-(2-octoxypyrimidin-5-yl)phenoxy]methyl]-2-octyl-thietane 1,1-dioxide Openeye Name: (2R,3R)-3-[[4-(2-octoxypyrimidin-5-yl)phenoxy]methyl]-2-octyl-thietane 1,1-dioxide CAS Name: (2R,3R)-3-[[4-(2-octoxy-5-pyrimidinyl)phenoxy]methyl]-2-octylthietane 1,1-dioxide IUPAC Name: (2R,3R)-3-[[4-(2-octoxypyrimidin-5-yl)phenoxy]methyl]-2-octylthietane 1,1-dioxide Traditional Name: (2R,3R)-3-[[4-(2-octoxypyrimidin-5-yl)phenoxy]methyl]-2-octyl-thietane 1,1-dioxide Formula: C30H46N2O4S MolecularWeight: 530.76224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CS1(=O)=O)COC2=CC=C(C=C2)C3=CN=C(N=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](CS1(=O)=O)COC2=CC=C(C=C2)C3=CN=C(N=C3)OCCCCCCCC

InChI

InChI=1S/C30H46N2O4S/c1-3-5-7-9-11-13-15-29-27(24-37(29,33)34)23-36-28-18-16-25(17-19-28)26-21-31-30(32-22-26)35-20-14-12-10-8-6-4-2/h16-19,21-22,27,29H,3-15,20,23-24H2,1-2H3/t27-,29-/m1/s1