(2E)-2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methylidene]-4-thiophen-2-yl-butanoic acid

Systemtic Name: (2E)-2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methylidene]-4-thiophen-2-yl-butanoic acid Openeye Name: (2E)-2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methylene]-4-(2-thienyl)butanoic acid CAS Name: (2E)-2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]methylidene]-4-thiophen-2-ylbutanoic acid IUPAC Name: (2E)-2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]methylidene]-4-thiophen-2-ylbutanoic acid Traditional Name: (E)-3-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]-2-[2-(2-thienyl)ethyl]acrylic acid Formula: C22H23ClN2O2S2 MolecularWeight: 447.01322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(CCC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)/C=C(\CCC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C22H23ClN2O2S2/c1-2-11-29-22-24-14-18(25(22)15-17-6-3-4-8-20(17)23)13-16(21(26)27)9-10-19-7-5-12-28-19/h3-8,12-14H,2,9-11,15H2,1H3,(H,26,27)/b16-13+