4-[[4-(2-phenylsulfanylethoxy)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-(2-phenylsulfanylethoxy)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoic acid CAS Name: 4-[[oxo-[4-[2-(phenylthio)ethoxy]phenyl]methyl]amino]benzoic acid IUPAC Name: 4-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoic acid Traditional Name: 4-[[4-[2-(phenylthio)ethoxy]benzoyl]amino]benzoic acid Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCOC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCOC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H19NO4S/c24-21(23-18-10-6-17(7-11-18)22(25)26)16-8-12-19(13-9-16)27-14-15-28-20-4-2-1-3-5-20/h1-13H,14-15H2,(H,23,24)(H,25,26)