methyl 2-(2-cyanoethylsulfanyl)-2-(2-dodecylphenyl)ethanoate

Systemtic Name: methyl 2-(2-cyanoethylsulfanyl)-2-(2-dodecylphenyl)ethanoate Openeye Name: methyl 2-(2-cyanoethylsulfanyl)-2-(2-dodecylphenyl)acetate CAS Name: 2-(2-cyanoethylthio)-2-(2-dodecylphenyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-cyanoethylsulfanyl)-2-(2-dodecylphenyl)acetate Traditional Name: 2-(2-cyanoethylthio)-2-(2-laurylphenyl)acetic acid methyl ester Formula: C24H37NO2S MolecularWeight: 403.62108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SCCC#N

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SCCC#N

InChI

InChI=1S/C24H37NO2S/c1-3-4-5-6-7-8-9-10-11-12-16-21-17-13-14-18-22(21)23(24(26)27-2)28-20-15-19-25/h13-14,17-18,23H,3-12,15-16,20H2,1-2H3