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

Systemtic Name: 2-oxidanyl-5-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propanoylamino]benzoic acid Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H22N2O5S/c1-16(24(30)27-19-10-13-22(28)21(15-19)25(31)32)33-20-11-8-18(9-12-20)26-23(29)14-7-17-5-3-2-4-6-17/h2-16,28H,1H3,(H,26,29)(H,27,30)(H,31,32)/b14-7+