[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C16H13BrFNO4S MolecularWeight: 414.246123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C16H13BrFNO4S/c1-9(20)19-7-11-3-5-15(24-11)14(21)8-23-16(22)12-4-2-10(18)6-13(12)17/h2-6H,7-8H2,1H3,(H,19,20)