4-[[3-oxidanylidene-3-[(2-phenoxyphenyl)amino]propyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[3-oxidanylidene-3-[(2-phenoxyphenyl)amino]propyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-oxo-3-(2-phenoxyanilino)propyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-oxo-3-(2-phenoxyanilino)propyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-oxo-3-(2-phenoxyanilino)propyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-keto-3-(2-phenoxyanilino)propyl]thio]methyl]benzoic acid Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CCSCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CCSCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H21NO4S/c25-22(14-15-29-16-17-10-12-18(13-11-17)23(26)27)24-20-8-4-5-9-21(20)28-19-6-2-1-3-7-19/h1-13H,14-16H2,(H,24,25)(H,26,27)