methyl 5-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-2,4-bis(fluoranyl)benzoate

Systemtic Name: methyl 5-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-2,4-difluoro-benzoate CAS Name: 5-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2,4-difluorobenzoate Traditional Name: 5-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-2,4-difluoro-benzoic acid methyl ester Formula: C17H14BrF2NO3S MolecularWeight: 430.263766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(C=C(C(=C2)C(=O)OC)F)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(C=C(C(=C2)C(=O)OC)F)F

InChI

InChI=1S/C17H14BrF2NO3S/c1-9-5-10(18)3-4-15(9)25-8-16(22)21-14-6-11(17(23)24-2)12(19)7-13(14)20/h3-7H,8H2,1-2H3,(H,21,22)