(E)-3-[4-(2-iodanylphenoxy)phenyl]-2-(2-thiophen-2-ylethanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-iodanylphenoxy)phenyl]-2-(2-thiophen-2-ylethanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-[[2-(2-thienyl)acetyl]amino]prop-2-enoic acid CAS Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-[(2-thiophen-2-ylacetyl)amino]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-[[2-(2-thienyl)acetyl]amino]acrylic acid Formula: C21H16INO4S MolecularWeight: 505.32551

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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)CC3=CC=CS3)I

Isomeric SMILES

C1=CC=C(C(=C1)OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CC3=CC=CS3)I

InChI

InChI=1S/C21H16INO4S/c22-17-5-1-2-6-19(17)27-15-9-7-14(8-10-15)12-18(21(25)26)23-20(24)13-16-4-3-11-28-16/h1-12H,13H2,(H,23,24)(H,25,26)/b18-12+