6-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 6-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]hexanoic acid Openeye Name: 6-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]hexanoic acid CAS Name: 6-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]hexanoic acid IUPAC Name: 6-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]hexanoic acid Traditional Name: 6-[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]thio]hexanoic acid Formula: C20H26N2O4S3 MolecularWeight: 454.62644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCCCCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCCCCCC(=O)O

InChI

InChI=1S/C20H26N2O4S3/c1-3-7-16-14(9-10-15(13(2)23)18(16)26)12-28-20-22-21-19(29-20)27-11-6-4-5-8-17(24)25/h9-10,26H,3-8,11-12H2,1-2H3,(H,24,25)