methyl 3-[1-(3-bromanylthiophen-2-yl)ethylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[1-(3-bromanylthiophen-2-yl)ethylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[1-(3-bromo-2-thienyl)ethylamino]-4-fluoro-benzoate CAS Name: 3-[1-(3-bromo-2-thiophenyl)ethylamino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorobenzoate Traditional Name: 3-[1-(3-bromo-2-thienyl)ethylamino]-4-fluoro-benzoic acid methyl ester Formula: C14H13BrFNO2S MolecularWeight: 358.225923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CS1)Br)NC2=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

CC(C1=C(C=CS1)Br)NC2=C(C=CC(=C2)C(=O)OC)F

InChI

InChI=1S/C14H13BrFNO2S/c1-8(13-10(15)5-6-20-13)17-12-7-9(14(18)19-2)3-4-11(12)16/h3-8,17H,1-2H3