(E)-3-[4-(2-bromanylphenoxy)phenyl]-2-(5-thiophen-2-ylpentanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-bromanylphenoxy)phenyl]-2-(5-thiophen-2-ylpentanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[5-(2-thienyl)pentanoylamino]prop-2-enoic acid CAS Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[(1-oxo-5-thiophen-2-ylpentyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-(5-thiophen-2-ylpentanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(2-bromophenoxy)phenyl]-2-[5-(2-thienyl)pentanoylamino]acrylic acid Formula: C24H22BrNO4S MolecularWeight: 500.40478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)CCCCC3=CC=CS3)Br

Isomeric SMILES

C1=CC=C(C(=C1)OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CCCCC3=CC=CS3)Br

InChI

InChI=1S/C24H22BrNO4S/c25-20-8-2-3-9-22(20)30-18-13-11-17(12-14-18)16-21(24(28)29)26-23(27)10-4-1-6-19-7-5-15-31-19/h2-3,5,7-9,11-16H,1,4,6,10H2,(H,26,27)(H,28,29)/b21-16+