(E)-3-[1-(4-methoxyphenoxy)-3-oxidanyl-propan-2-yl]sulfanyl-N-octyl-prop-2-enamide

Systemtic Name: (E)-3-[1-(4-methoxyphenoxy)-3-oxidanyl-propan-2-yl]sulfanyl-N-octyl-prop-2-enamide Openeye Name: (E)-3-[1-(hydroxymethyl)-2-(4-methoxyphenoxy)ethyl]sulfanyl-N-octyl-prop-2-enamide CAS Name: (E)-3-[[1-hydroxy-3-(4-methoxyphenoxy)propan-2-yl]thio]-N-octyl-2-propenamide IUPAC Name: (E)-3-[1-hydroxy-3-(4-methoxyphenoxy)propan-2-yl]sulfanyl-N-octylprop-2-enamide Traditional Name: (E)-3-[[2-hydroxy-1-[(4-methoxyphenoxy)methyl]ethyl]thio]-N-octyl-acrylamide Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(CO)COC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(CO)COC1=CC=C(C=C1)OC

InChI

InChI=1S/C21H33NO4S/c1-3-4-5-6-7-8-14-22-21(24)13-15-27-20(16-23)17-26-19-11-9-18(25-2)10-12-19/h9-13,15,20,23H,3-8,14,16-17H2,1-2H3,(H,22,24)/b15-13+