octadecyl 3-[(E)-5-(2-acetamidoethylsulfanyl)hex-3-enoyl]sulfanylpropanoate

Systemtic Name: octadecyl 3-[(E)-5-(2-acetamidoethylsulfanyl)hex-3-enoyl]sulfanylpropanoate Openeye Name: octadecyl 3-[(E)-5-(2-acetamidoethylsulfanyl)hex-3-enoyl]sulfanylpropanoate CAS Name: 3-[[(E)-5-(2-acetamidoethylthio)-1-oxohex-3-enyl]thio]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[(E)-5-(2-acetamidoethylsulfanyl)hex-3-enoyl]sulfanylpropanoate Traditional Name: 3-[[(E)-5-(2-acetamidoethylthio)hex-3-enoyl]thio]propionic acid stearyl ester Formula: C31H57NO4S2 MolecularWeight: 571.91858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-36-30(34)23-26-38-31(35)22-20-21-28(2)37-27-24-32-29(3)33/h20-21,28H,4-19,22-27H2,1-3H3,(H,32,33)/b21-20+