ethyl 6-[[5-(5-bromanylpentylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethyl-hexanoate

Systemtic Name: ethyl 6-[[5-(5-bromanylpentylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethyl-hexanoate Openeye Name: ethyl 6-[[5-(5-bromopentylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethyl-hexanoate CAS Name: 6-[[5-(5-bromopentylthio)-1,3,4-thiadiazol-2-yl]thio]-2,2-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[[5-(5-bromopentylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethylhexanoate Traditional Name: 6-[[5-(5-bromopentylthio)-1,3,4-thiadiazol-2-yl]thio]-2,2-dimethyl-hexanoic acid ethyl ester Formula: C17H29BrN2O2S3 MolecularWeight: 469.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCSC1=NN=C(S1)SCCCCCBr

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCSC1=NN=C(S1)SCCCCCBr

InChI

InChI=1S/C17H29BrN2O2S3/c1-4-22-14(21)17(2,3)10-6-9-13-24-16-20-19-15(25-16)23-12-8-5-7-11-18/h4-13H2,1-3H3