methyl 2-fluoranyl-5-[(4-methylsulfanylphenyl)methylamino]benzoate

Systemtic Name: methyl 2-fluoranyl-5-[(4-methylsulfanylphenyl)methylamino]benzoate Openeye Name: methyl 2-fluoro-5-[(4-methylsulfanylphenyl)methylamino]benzoate CAS Name: 2-fluoro-5-[[4-(methylthio)phenyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-[(4-methylsulfanylphenyl)methylamino]benzoate Traditional Name: 2-fluoro-5-[[4-(methylthio)benzyl]amino]benzoic acid methyl ester Formula: C16H16FNO2S MolecularWeight: 305.367143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(C=C2)SC)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(C=C2)SC)F

InChI

InChI=1S/C16H16FNO2S/c1-20-16(19)14-9-12(5-8-15(14)17)18-10-11-3-6-13(21-2)7-4-11/h3-9,18H,10H2,1-2H3