2-[[3-[(E)-2-(4-fluorophenyl)-4-imidazol-1-yl-but-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[3-[(E)-2-(4-fluorophenyl)-4-imidazol-1-yl-but-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[3-[(E)-2-(4-fluorophenyl)-4-imidazol-1-yl-but-1-enyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-[(E)-2-(4-fluorophenyl)-4-(1-imidazolyl)but-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[3-[(E)-2-(4-fluorophenyl)-4-imidazol-1-ylbut-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-[(E)-2-(4-fluorophenyl)-4-imidazol-1-yl-but-1-enyl]benzoyl]amino]-4-(methylthio)butyrate Formula: C25H25FN3O3S- MolecularWeight: 466.547703

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC=CC(=C1)C=C(CCN2C=CN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C1=CC=CC(=C1)/C=C(\CCN2C=CN=C2)/C3=CC=C(C=C3)F

InChI

InChI=1S/C25H26FN3O3S/c1-33-14-10-23(25(31)32)28-24(30)21-4-2-3-18(16-21)15-20(9-12-29-13-11-27-17-29)19-5-7-22(26)8-6-19/h2-8,11,13,15-17,23H,9-10,12,14H2,1H3,(H,28,30)(H,31,32)/p-1/b20-15+