3-[2-[4-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[4-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[4-[(2-fluorobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C23H19FN2O4S MolecularWeight: 438.471363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H19FN2O4S/c1-14(21(27)26-17-6-4-5-15(13-17)23(29)30)31-18-11-9-16(10-12-18)25-22(28)19-7-2-3-8-20(19)24/h2-14H,1H3,(H,25,28)(H,26,27)(H,29,30)