methyl 3-azanyl-4-(4-fluorophenyl)sulfanyl-benzoate

Systemtic Name: methyl 3-azanyl-4-(4-fluorophenyl)sulfanyl-benzoate Openeye Name: methyl 3-amino-4-(4-fluorophenyl)sulfanyl-benzoate CAS Name: 3-amino-4-[(4-fluorophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(4-fluorophenyl)sulfanylbenzoate Traditional Name: 3-amino-4-[(4-fluorophenyl)thio]benzoic acid methyl ester Formula: C14H12FNO2S MolecularWeight: 277.313983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)N

InChI

InChI=1S/C14H12FNO2S/c1-18-14(17)9-2-7-13(12(16)8-9)19-11-5-3-10(15)4-6-11/h2-8H,16H2,1H3