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

Systemtic Name: ethyl 4-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]amino]-4-keto-butyric acid ethyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-4-6-15-13(7-8-14(12(3)24)18(15)27)11-29-20-23-22-19(30-20)21-16(25)9-10-17(26)28-5-2/h7-8,27H,4-6,9-11H2,1-3H3,(H,21,22,25)