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

Systemtic Name: 2-oxidanyl-5-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

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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)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5S/c1-15(23(29)26-18-9-12-21(27)20(14-18)24(30)31)32-19-10-7-17(8-11-19)25-22(28)13-16-5-3-2-4-6-16/h2-12,14-15,27H,13H2,1H3,(H,25,28)(H,26,29)(H,30,31)