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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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