ethyl (E)-2-cyano-3-hexadecylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-hexadecylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-hexadecylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(hexadecylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-hexadecylsulfanylprop-2-enoate Traditional Name: (E)-3-(cetylthio)-2-cyano-acrylic acid ethyl ester Formula: C22H39NO2S MolecularWeight: 381.61556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC=C(C#N)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCS/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C22H39NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-20-21(19-23)22(24)25-4-2/h20H,3-18H2,1-2H3/b21-20+