2-oxidanyl-5-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C24H20N2O5S/c27-21-12-9-18(14-20(21)24(30)31)26-23(29)15-32-19-10-7-17(8-11-19)25-22(28)13-6-16-4-2-1-3-5-16/h1-14,27H,15H2,(H,25,28)(H,26,29)(H,30,31)/b13-6+