(2-chlorophenyl)methyl 2-(1H-imidazol-5-yl)-2-propylsulfanyl-butanoate

Systemtic Name: (2-chlorophenyl)methyl 2-(1H-imidazol-5-yl)-2-propylsulfanyl-butanoate Openeye Name: (2-chlorophenyl)methyl 2-(1H-imidazol-5-yl)-2-propylsulfanyl-butanoate CAS Name: 2-(1H-imidazol-5-yl)-2-(propylthio)butanoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 2-(1H-imidazol-5-yl)-2-propylsulfanylbutanoate Traditional Name: 2-(1H-imidazol-5-yl)-2-(propylthio)butyric acid (2-chlorobenzyl) ester Formula: C17H21ClN2O2S MolecularWeight: 352.87884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC(CC)(C1=CN=CN1)C(=O)OCC2=CC=CC=C2Cl

Isomeric SMILES

CCCSC(CC)(C1=CN=CN1)C(=O)OCC2=CC=CC=C2Cl

InChI

InChI=1S/C17H21ClN2O2S/c1-3-9-23-17(4-2,15-10-19-12-20-15)16(21)22-11-13-7-5-6-8-14(13)18/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,20)