2-[2-(2-chlorophenyl)-3-heptylsulfanyl-1-imidazol-1-yl-2-oxidanyl-propoxy]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[2-(2-chlorophenyl)-3-heptylsulfanyl-1-imidazol-1-yl-2-oxidanyl-propoxy]-2-oxidanylidene-ethanoate Openeye Name: 2-[2-(2-chlorophenyl)-3-heptylsulfanyl-2-hydroxy-1-imidazol-1-yl-propoxy]-2-oxo-acetate CAS Name: 2-[2-(2-chlorophenyl)-3-(heptylthio)-2-hydroxy-1-(1-imidazolyl)propoxy]-2-oxoacetate IUPAC Name: 2-[2-(2-chlorophenyl)-3-heptylsulfanyl-2-hydroxy-1-imidazol-1-ylpropoxy]-2-oxoacetate Traditional Name: 2-[2-(2-chlorophenyl)-3-(heptylthio)-2-hydroxy-1-imidazol-1-yl-propoxy]-2-keto-acetate Formula: C21H26ClN2O5S- MolecularWeight: 453.95954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(C1=CC=CC=C1Cl)(C(N2C=CN=C2)OC(=O)C(=O)[O-])O

Isomeric SMILES

CCCCCCCSCC(C1=CC=CC=C1Cl)(C(N2C=CN=C2)OC(=O)C(=O)[O-])O

InChI

InChI=1S/C21H27ClN2O5S/c1-2-3-4-5-8-13-30-14-21(28,16-9-6-7-10-17(16)22)20(24-12-11-23-15-24)29-19(27)18(25)26/h6-7,9-12,15,20,28H,2-5,8,13-14H2,1H3,(H,25,26)/p-1