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

Systemtic Name: ethyl 4-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 4-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid ethyl ester Formula: C24H26N2O4S3 MolecularWeight: 502.66924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C24H26N2O4S3/c1-4-6-20-18(11-12-19(15(3)27)21(20)28)14-32-24-26-25-23(33-24)31-13-16-7-9-17(10-8-16)22(29)30-5-2/h7-12,28H,4-6,13-14H2,1-3H3