ethyl (E)-3-[2-butyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-butyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoate Openeye Name: ethyl (E)-3-[2-butyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]-2-(2-thienylmethyl)prop-2-enoate CAS Name: (E)-3-[2-butyl-3-[(4-iodophenyl)methyl]-4-imidazolyl]-2-(thiophen-2-ylmethyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-butyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoate Traditional Name: (E)-3-[2-butyl-3-(4-iodobenzyl)imidazol-4-yl]-2-(2-thenyl)acrylic acid ethyl ester Formula: C24H27IN2O2S MolecularWeight: 534.45285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)I)C=C(CC3=CC=CS3)C(=O)OCC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)I)/C=C(\CC3=CC=CS3)/C(=O)OCC

InChI

InChI=1S/C24H27IN2O2S/c1-3-5-8-23-26-16-21(27(23)17-18-9-11-20(25)12-10-18)14-19(24(28)29-4-2)15-22-7-6-13-30-22/h6-7,9-14,16H,3-5,8,15,17H2,1-2H3/b19-14+