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

Systemtic Name: 2-[3-[4-(phenethylamino)phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-(phenethylamino)phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-(phenethylamino)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-(phenethylamino)phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-(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=C(C=C2)SC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

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

InChI

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