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

Systemtic Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-4-thiophen-2-yl-butanoate Openeye Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylene]-4-(2-thienyl)butanoate CAS Name: (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]methylidene]-4-thiophen-2-ylbutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-4-thiophen-2-ylbutanoate Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-2-[2-(2-thienyl)ethyl]acrylic acid methyl ester Formula: C24H27ClN2O2S MolecularWeight: 443.00138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(CCC3=CC=CS3)C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C=C(\CCC3=CC=CS3)/C(=O)OC

InChI

InChI=1S/C24H27ClN2O2S/c1-3-4-11-23-26-16-20(27(23)17-19-8-5-6-10-22(19)25)15-18(24(28)29-2)12-13-21-9-7-14-30-21/h5-10,14-16H,3-4,11-13,17H2,1-2H3/b18-15+