2-azanyl-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-4-oxidanylidene-2-(1,3,4-thiadiazol-2-yl)butanoic acid

Systemtic Name: 2-azanyl-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-4-oxidanylidene-2-(1,3,4-thiadiazol-2-yl)butanoic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-amino-4-oxo-2-(1,3,4-thiadiazol-2-yl)butanoic acid CAS Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-amino-4-oxo-2-(1,3,4-thiadiazol-2-yl)butanoic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-amino-4-oxo-2-(1,3,4-thiadiazol-2-yl)butanoic acid Traditional Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-amino-4-keto-2-(1,3,4-thiadiazol-2-yl)butyric acid Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(C=O)C(C2=NN=CS2)(C(=O)O)N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(C=O)C(C2=NN=CS2)(C(=O)O)N

InChI

InChI=1S/C20H25N3O6S2/c1-3-5-14-15(7-6-13(12(2)25)17(14)26)29-8-4-9-30-16(10-24)20(21,19(27)28)18-23-22-11-31-18/h6-7,10-11,16,26H,3-5,8-9,21H2,1-2H3,(H,27,28)