7-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]heptanoic acid

Systemtic Name: 7-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]heptanoic acid Openeye Name: 7-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]heptanoic acid CAS Name: 7-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]heptanoic acid IUPAC Name: 7-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]heptanoic acid Traditional Name: 7-[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]thio]enanthic acid Formula: C21H28N2O4S3 MolecularWeight: 468.65302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S3/c1-3-8-17-15(10-11-16(14(2)24)19(17)27)13-29-21-23-22-20(30-21)28-12-7-5-4-6-9-18(25)26/h10-11,27H,3-9,12-13H2,1-2H3,(H,25,26)