(E)-N-octyl-3-(1-oxidanyl-3-phenoxy-propan-2-yl)sulfanyl-prop-2-enamide

Systemtic Name: (E)-N-octyl-3-(1-oxidanyl-3-phenoxy-propan-2-yl)sulfanyl-prop-2-enamide Openeye Name: (E)-3-[1-(hydroxymethyl)-2-phenoxy-ethyl]sulfanyl-N-octyl-prop-2-enamide CAS Name: (E)-3-[(1-hydroxy-3-phenoxypropan-2-yl)thio]-N-octyl-2-propenamide IUPAC Name: (E)-3-(1-hydroxy-3-phenoxypropan-2-yl)sulfanyl-N-octylprop-2-enamide Traditional Name: (E)-3-[(1-methylol-2-phenoxy-ethyl)thio]-N-octyl-acrylamide Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3S/c1-2-3-4-5-6-10-14-21-20(23)13-15-25-19(16-22)17-24-18-11-8-7-9-12-18/h7-9,11-13,15,19,22H,2-6,10,14,16-17H2,1H3,(H,21,23)/b15-13+