4-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Openeye Name: 4-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid CAS Name: 4-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid IUPAC Name: 4-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Traditional Name: 4-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17NO2S/c1-11(12-5-9-15(20-2)10-6-12)17-14-7-3-13(4-8-14)16(18)19/h3-11,17H,1-2H3,(H,18,19)