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

Systemtic Name: methyl 3-[2-butyl-4-[(E)-3-oxidanylidene-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]propanoate Openeye Name: methyl 3-[2-butyl-4-[(E)-3-oxo-2-(2-thienylmethyl)but-1-enyl]imidazol-1-yl]propanoate CAS Name: 3-[2-butyl-4-[(E)-3-oxo-2-(thiophen-2-ylmethyl)but-1-enyl]-1-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-butyl-4-[(E)-3-oxo-2-(thiophen-2-ylmethyl)but-1-enyl]imidazol-1-yl]propanoate Traditional Name: 3-[2-butyl-4-[(E)-3-keto-2-(2-thenyl)but-1-enyl]imidazol-1-yl]propionic acid methyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CCC(=O)OC)C=C(CC2=CC=CS2)C(=O)C

Isomeric SMILES

CCCCC1=NC(=CN1CCC(=O)OC)/C=C(\CC2=CC=CS2)/C(=O)C

InChI

InChI=1S/C20H26N2O3S/c1-4-5-8-19-21-17(14-22(19)10-9-20(24)25-3)12-16(15(2)23)13-18-7-6-11-26-18/h6-7,11-12,14H,4-5,8-10,13H2,1-3H3/b16-12+