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

Systemtic Name: 2-[[2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-(4-fluorophenyl)-4-[(E)-3-(1-imidazolyl)prop-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]-4-(methylthio)butyrate Formula: C24H23FN3O3S- MolecularWeight: 452.521123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)/C=C/CN2C=CN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H24FN3O3S/c1-32-14-10-22(24(30)31)27-23(29)20-9-4-17(3-2-12-28-13-11-26-16-28)15-21(20)18-5-7-19(25)8-6-18/h2-9,11,13,15-16,22H,10,12,14H2,1H3,(H,27,29)(H,30,31)/p-1/b3-2+