methyl 3-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-amino-2-fluoro-phenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-amino-2-fluorophenyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-amino-2-fluorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-amino-2-fluoro-phenyl)thio]methyl]benzoic acid methyl ester Formula: C15H14FNO2S MolecularWeight: 291.340563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=C(C=C(C=C2)N)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=C(C=C(C=C2)N)F

InChI

InChI=1S/C15H14FNO2S/c1-19-15(18)11-4-2-3-10(7-11)9-20-14-6-5-12(17)8-13(14)16/h2-8H,9,17H2,1H3