octadecyl (E)-5-(2-acetamidoethylsulfanyl)hex-3-enoate

Systemtic Name: octadecyl (E)-5-(2-acetamidoethylsulfanyl)hex-3-enoate Openeye Name: octadecyl (E)-5-(2-acetamidoethylsulfanyl)hex-3-enoate CAS Name: (E)-5-(2-acetamidoethylthio)-3-hexenoic acid octadecyl ester IUPAC Name: octadecyl (E)-5-(2-acetamidoethylsulfanyl)hex-3-enoate Traditional Name: (E)-5-(2-acetamidoethylthio)hex-3-enoic acid stearyl ester Formula: C28H53NO3S MolecularWeight: 483.79032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC=CC(C)SCCNC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C/C=C/C(C)SCCNC(=O)C

InChI

InChI=1S/C28H53NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-28(31)22-20-21-26(2)33-25-23-29-27(3)30/h20-21,26H,4-19,22-25H2,1-3H3,(H,29,30)/b21-20+