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

Systemtic Name: 3-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C24H20N2O4S MolecularWeight: 432.4916

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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=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O4S/c27-22(14-9-17-5-2-1-3-6-17)25-19-10-12-21(13-11-19)31-16-23(28)26-20-8-4-7-18(15-20)24(29)30/h1-15H,16H2,(H,25,27)(H,26,28)(H,29,30)/b14-9+