2-[4-[3-(phenethylamino)phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(phenethylamino)phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-(phenethylamino)phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-(phenethylamino)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-(phenethylamino)phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-(phenethylamino)phenyl]thio]phenyl]acetic acid Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C22H21NO2S/c24-22(25)15-18-9-11-20(12-10-18)26-21-8-4-7-19(16-21)23-14-13-17-5-2-1-3-6-17/h1-12,16,23H,13-15H2,(H,24,25)