4-fluoranyl-3-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid

Systemtic Name: 4-fluoranyl-3-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Openeye Name: 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid CAS Name: 4-fluoro-3-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid IUPAC Name: 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid Traditional Name: 4-fluoro-3-[1-[4-(methylthio)phenyl]ethylamino]benzoic acid Formula: C16H16FNO2S MolecularWeight: 305.367143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FNO2S/c1-10(11-3-6-13(21-2)7-4-11)18-15-9-12(16(19)20)5-8-14(15)17/h3-10,18H,1-2H3,(H,19,20)