1-[[5-(2-acetyloxyhexadecylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]hexadecan-2-yl ethanoate

Systemtic Name: 1-[[5-(2-acetyloxyhexadecylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]hexadecan-2-yl ethanoate Openeye Name: 1-[[5-(2-acetoxyhexadecylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentadecyl acetate CAS Name: acetic acid 1-[[5-(2-acetyloxyhexadecylthio)-1,3,4-thiadiazol-2-yl]thio]hexadecan-2-yl ester IUPAC Name: 1-[[5-(2-acetyloxyhexadecylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]hexadecan-2-yl acetate Traditional Name: acetic acid 1-[[[5-(2-acetoxyhexadecylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]pentadecyl ester Formula: C38H70N2O4S3 MolecularWeight: 715.1684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CSC1=NN=C(S1)SCC(CCCCCCCCCCCCCC)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC(CSC1=NN=C(S1)SCC(CCCCCCCCCCCCCC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C38H70N2O4S3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(43-33(3)41)31-45-37-39-40-38(47-37)46-32-36(44-34(4)42)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35-36H,5-32H2,1-4H3