ethyl 4-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCCCC(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCCCC(=O)OCC

InChI

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