methyl 4-[[2-butyl-5-[(E)-3-oxidanylidene-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-butyl-5-[(E)-3-oxidanylidene-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-5-[(E)-3-oxo-2-(2-thienylmethyl)but-1-enyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(E)-3-oxo-2-(thiophen-2-ylmethyl)but-1-enyl]-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-5-[(E)-3-oxo-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(E)-3-keto-2-(2-thenyl)but-1-enyl]imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S/c1-4-5-8-24-26-16-22(14-21(18(2)28)15-23-7-6-13-31-23)27(24)17-19-9-11-20(12-10-19)25(29)30-3/h6-7,9-14,16H,4-5,8,15,17H2,1-3H3/b21-14+