methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-3-thiophen-2-yl-heptanoate

Systemtic Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-3-thiophen-2-yl-heptanoate Openeye Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylene]-3-(2-thienyl)heptanoate CAS Name: (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]methylidene]-3-thiophen-2-ylheptanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-3-thiophen-2-ylheptanoate Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-2-[1-(2-thienyl)pentyl]acrylic acid methyl ester Formula: C27H33ClN2O2S MolecularWeight: 485.08112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(C(CCCC)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C=C(\C(CCCC)C3=CC=CS3)/C(=O)OC

InChI

InChI=1S/C27H33ClN2O2S/c1-4-6-12-22(25-14-10-16-33-25)23(27(31)32-3)17-21-18-29-26(15-7-5-2)30(21)19-20-11-8-9-13-24(20)28/h8-11,13-14,16-18,22H,4-7,12,15,19H2,1-3H3/b23-17+