2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]-4-ethoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]-4-ethoxy-4-oxidanylidene-butanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]-4-ethoxy-4-oxo-butanoic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]methyl]-4-ethoxy-4-oxobutanoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]methyl]-4-ethoxy-4-oxobutanoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]methyl]-4-ethoxy-4-keto-butyric acid Formula: C20H25ClN2O4S MolecularWeight: 424.9415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(CC(=O)OCC)C(=O)O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(CC(=O)OCC)C(=O)O

InChI

InChI=1S/C20H25ClN2O4S/c1-3-9-28-20-22-12-16(10-15(19(25)26)11-18(24)27-4-2)23(20)13-14-7-5-6-8-17(14)21/h5-8,12,15H,3-4,9-11,13H2,1-2H3,(H,25,26)