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

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

Isomeric SMILES

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

InChI

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