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

Systemtic Name: 2-oxidanyl-5-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butanoylamino]benzoic acid Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O5S/c1-2-23(25(31)28-19-12-13-22(29)21(16-19)26(32)33)34-20-10-6-9-18(15-20)27-24(30)14-11-17-7-4-3-5-8-17/h3-16,23,29H,2H2,1H3,(H,27,30)(H,28,31)(H,32,33)/b14-11+