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

Systemtic Name: 3-[2-[3-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-[(2-fluorobenzoyl)amino]phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C24H21FN2O4S/c1-14-10-11-16(24(30)31)12-21(14)27-22(28)15(2)32-18-7-5-6-17(13-18)26-23(29)19-8-3-4-9-20(19)25/h3-13,15H,1-2H3,(H,26,29)(H,27,28)(H,30,31)