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

Systemtic Name: [[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino] 4-oxidanylidenebutanoate Openeye Name: [[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino] 4-oxobutanoate CAS Name: 4-oxobutanoic acid [[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino] ester IUPAC Name: [[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino] 4-oxobutanoate Traditional Name: 4-ketobutyric acid [[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]amino] ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S2/c1-3-5-14-12(7-8-13(11(2)23)16(14)25)10-27-18-20-19-17(28-18)21-26-15(24)6-4-9-22/h7-9,25H,3-6,10H2,1-2H3,(H,19,21)