methyl 3-[(4-bromanylthiophen-2-yl)methylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[(4-bromanylthiophen-2-yl)methylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[(4-bromo-2-thienyl)methylamino]-4-fluoro-benzoate CAS Name: 3-[(4-bromo-2-thiophenyl)methylamino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromothiophen-2-yl)methylamino]-4-fluorobenzoate Traditional Name: 3-[(4-bromo-2-thienyl)methylamino]-4-fluoro-benzoic acid methyl ester Formula: C13H11BrFNO2S MolecularWeight: 344.199343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NCC2=CC(=CS2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NCC2=CC(=CS2)Br

InChI

InChI=1S/C13H11BrFNO2S/c1-18-13(17)8-2-3-11(15)12(4-8)16-6-10-5-9(14)7-19-10/h2-5,7,16H,6H2,1H3