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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S2/c1-3-6-14-15(8-7-13(12(2)24)16(14)25)29-9-4-5-10-30-19(28)20(21,18(26)27)17-23-22-11-31-17/h7-8,11,25H,3-6,9-10,21H2,1-2H3,(H,26,27)