2-[[4-[(E)-2-(5-bromanylpyridin-3-yl)ethenyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(E)-2-(5-bromanylpyridin-3-yl)ethenyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(E)-2-(5-bromo-3-pyridyl)vinyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(E)-2-(5-bromo-3-pyridinyl)ethenyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(E)-2-(5-bromopyridin-3-yl)ethenyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(E)-2-(5-bromo-3-pyridyl)vinyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H23BrN2O3S MolecularWeight: 511.43072

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C=CC2=CC(=CN=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)/C=C/C2=CC(=CN=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C25H23BrN2O3S/c1-32-12-11-23(25(30)31)28-24(29)21-10-9-17(7-8-18-13-20(26)16-27-15-18)14-22(21)19-5-3-2-4-6-19/h2-10,13-16,23H,11-12H2,1H3,(H,28,29)(H,30,31)/b8-7+