3-azanyl-4-[(2-fluorophenyl)methylsulfanyl]benzoate

Systemtic Name: 3-azanyl-4-[(2-fluorophenyl)methylsulfanyl]benzoate Openeye Name: 3-amino-4-[(2-fluorophenyl)methylsulfanyl]benzoate CAS Name: 3-amino-4-[(2-fluorophenyl)methylthio]benzoate IUPAC Name: 3-amino-4-[(2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 3-amino-4-[(2-fluorobenzyl)thio]benzoate Formula: C14H11FNO2S- MolecularWeight: 276.306043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C=C(C=C2)C(=O)[O-])N)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C=C(C=C2)C(=O)[O-])N)F

InChI

InChI=1S/C14H12FNO2S/c15-11-4-2-1-3-10(11)8-19-13-6-5-9(14(17)18)7-12(13)16/h1-7H,8,16H2,(H,17,18)/p-1