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

Systemtic Name: 2-[2-(2-chlorophenyl)-3-heptylsulfanyl-1-imidazol-1-yl-2-oxidanyl-propoxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(2-chlorophenyl)-3-heptylsulfanyl-2-hydroxy-1-imidazol-1-yl-propoxy]-2-oxo-acetic acid CAS Name: 2-[2-(2-chlorophenyl)-3-(heptylthio)-2-hydroxy-1-(1-imidazolyl)propoxy]-2-oxoacetic acid IUPAC Name: 2-[2-(2-chlorophenyl)-3-heptylsulfanyl-2-hydroxy-1-imidazol-1-ylpropoxy]-2-oxoacetic acid Traditional Name: 2-[2-(2-chlorophenyl)-3-(heptylthio)-2-hydroxy-1-imidazol-1-yl-propoxy]-2-keto-acetic acid Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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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)