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

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl-(1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl-(1,3,4-thiadiazol-2-yl)amino]-2-oxo-acetic acid CAS Name: 2-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-(1,3,4-thiadiazol-2-yl)amino]-2-oxoacetic acid IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl-(1,3,4-thiadiazol-2-yl)amino]-2-oxoacetic acid Traditional Name: 2-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-(1,3,4-thiadiazol-2-yl)amino]-2-keto-acetic acid Formula: C18H21N3O6S2 MolecularWeight: 439.50584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSN(C2=NN=CS2)C(=O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSN(C2=NN=CS2)C(=O)C(=O)O

InChI

InChI=1S/C18H21N3O6S2/c1-3-5-13-14(7-6-12(11(2)22)15(13)23)27-8-4-9-29-21(16(24)17(25)26)18-20-19-10-28-18/h6-7,10,23H,3-5,8-9H2,1-2H3,(H,25,26)