methyl 2,4-bis(fluoranyl)-5-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: methyl 2,4-difluoro-5-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 2,4-difluoro-5-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 2,4-difluoro-5-[[2-(phenylthio)acetyl]amino]benzoic acid methyl ester Formula: C16H13F2NO3S MolecularWeight: 337.341126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H13F2NO3S/c1-22-16(21)11-7-14(13(18)8-12(11)17)19-15(20)9-23-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,19,20)