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

Systemtic Name: ethyl 6-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]hexanoate Openeye Name: ethyl 6-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]hexanoate CAS Name: 6-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]hexanoate Traditional Name: 6-[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]thio]hexanoic acid ethyl ester Formula: C22H30N2O4S3 MolecularWeight: 482.6796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S3/c1-4-9-18-16(11-12-17(15(3)25)20(18)27)14-30-22-24-23-21(31-22)29-13-8-6-7-10-19(26)28-5-2/h11-12,27H,4-10,13-14H2,1-3H3