diethyl 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-2-ethyl-propanedioate

Systemtic Name: diethyl 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-2-ethyl-propanedioate Openeye Name: diethyl 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-2-ethyl-propanedioate CAS Name: 2-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-2-ethylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]-2-ethylpropanedioate Traditional Name: 2-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]-2-ethyl-malonic acid diethyl ester Formula: C22H29ClN2O4S MolecularWeight: 452.99466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O4S/c1-5-13-30-21-24-14-18(25(21)15-16-11-9-10-12-17(16)23)22(6-2,19(26)28-7-3)20(27)29-8-4/h9-12,14H,5-8,13,15H2,1-4H3