(E)-3-[4-(2-bromanylphenoxy)phenyl]-2-(2-phenylsulfanylethanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-bromanylphenoxy)phenyl]-2-(2-phenylsulfanylethanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-phenylsulfanylacetyl)amino]prop-2-enoic acid CAS Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[[1-oxo-2-(phenylthio)ethyl]amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-phenylsulfanylacetyl)amino]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[[2-(phenylthio)acetyl]amino]acrylic acid Formula: C23H18BrNO4S MolecularWeight: 484.36232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)N/C(=C/C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C23H18BrNO4S/c24-19-8-4-5-9-21(19)29-17-12-10-16(11-13-17)14-20(23(27)28)25-22(26)15-30-18-6-2-1-3-7-18/h1-14H,15H2,(H,25,26)(H,27,28)/b20-14+