5-[2-[3-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-[(2-fluorobenzoyl)amino]phenyl]thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C24H21FN2O5S MolecularWeight: 468.497343

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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)C3=CC=CC=C3F

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN2O5S/c1-2-21(23(30)27-15-10-11-20(28)18(13-15)24(31)32)33-16-7-5-6-14(12-16)26-22(29)17-8-3-4-9-19(17)25/h3-13,21,28H,2H2,1H3,(H,26,29)(H,27,30)(H,31,32)