methyl 5-[(5-bromanylthiophen-3-yl)methylamino]-2,4-bis(fluoranyl)benzoate

Systemtic Name: methyl 5-[(5-bromanylthiophen-3-yl)methylamino]-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-[(5-bromo-3-thienyl)methylamino]-2,4-difluoro-benzoate CAS Name: 5-[(5-bromo-3-thiophenyl)methylamino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(5-bromothiophen-3-yl)methylamino]-2,4-difluorobenzoate Traditional Name: 5-[(5-bromo-3-thienyl)methylamino]-2,4-difluoro-benzoic acid methyl ester Formula: C13H10BrF2NO2S MolecularWeight: 362.189806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NCC2=CSC(=C2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NCC2=CSC(=C2)Br

InChI

InChI=1S/C13H10BrF2NO2S/c1-19-13(18)8-3-11(10(16)4-9(8)15)17-5-7-2-12(14)20-6-7/h2-4,6,17H,5H2,1H3