2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]-2-pyridin-3-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]-2-pyridin-3-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]-2-(3-pyridyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(Z)-2-(4-fluorophenyl)-3-(1-imidazolyl)prop-1-enyl]-2-(3-pyridinyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]-2-pyridin-3-ylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]-2-(3-pyridyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C29H26FN4O3S- MolecularWeight: 529.605143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)C=C(CN2C=CN=C2)C3=CC=C(C=C3)F)C4=CN=CC=C4

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)C4=CN=CC=C4

InChI

InChI=1S/C29H27FN4O3S/c1-38-14-10-27(29(36)37)33-28(35)25-9-4-20(16-26(25)22-3-2-11-31-17-22)15-23(18-34-13-12-32-19-34)21-5-7-24(30)8-6-21/h2-9,11-13,15-17,19,27H,10,14,18H2,1H3,(H,33,35)(H,36,37)/p-1/b23-15+