methyl 4-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-bromo-2-fluorophenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-bromo-2-fluoro-benzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H15BrFNO3S MolecularWeight: 412.273303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H15BrFNO3S/c1-23-17(22)11-3-6-14(7-4-11)20-16(21)10-24-9-12-2-5-13(18)8-15(12)19/h2-8H,9-10H2,1H3,(H,20,21)