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

Systemtic Name: methyl 4-[[2-butyl-5-[3-methoxy-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-5-[3-methoxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-5-[3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[3-keto-3-methoxy-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-4-5-8-23-26-16-21(14-20(25(29)31-3)15-22-7-6-13-32-22)27(23)17-18-9-11-19(12-10-18)24(28)30-2/h6-7,9-14,16H,4-5,8,15,17H2,1-3H3