5-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[4-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[4-[(4-fluorobenzoyl)amino]phenyl]thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C23H19FN2O5S MolecularWeight: 454.470763

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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)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN2O5S/c1-13(21(28)26-17-8-11-20(27)19(12-17)23(30)31)32-18-9-6-16(7-10-18)25-22(29)14-2-4-15(24)5-3-14/h2-13,27H,1H3,(H,25,29)(H,26,28)(H,30,31)