N-[[2-phenyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-1,4-benzodioxin-3-yl]methyl]ethanamide

Systemtic Name: N-[[2-phenyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-1,4-benzodioxin-3-yl]methyl]ethanamide Openeye Name: N-[[6-[(E)-cinnamyl]sulfanyl-2-phenyl-1,4-benzodioxin-3-yl]methyl]acetamide CAS Name: N-[[2-phenyl-6-[[(E)-3-phenylprop-2-enyl]thio]-1,4-benzodioxin-3-yl]methyl]acetamide IUPAC Name: N-[[2-phenyl-6-[(E)-3-phenylprop-2-enyl]sulfanyl-1,4-benzodioxin-3-yl]methyl]acetamide Traditional Name: N-[[6-[[(E)-cinnamyl]thio]-2-phenyl-1,4-benzodioxin-3-yl]methyl]acetamide Formula: C26H23NO3S MolecularWeight: 429.53072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(OC2=C(O1)C=C(C=C2)SCC=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCC1=C(OC2=C(O1)C=C(C=C2)SC/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23NO3S/c1-19(28)27-18-25-26(21-12-6-3-7-13-21)30-23-15-14-22(17-24(23)29-25)31-16-8-11-20-9-4-2-5-10-20/h2-15,17H,16,18H2,1H3,(H,27,28)/b11-8+