methyl 3-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[2-(4-acetyl-2-fluoro-phenyl)sulfanylacetyl]amino]-4-fluoro-benzoate CAS Name: 3-[[2-[(4-acetyl-2-fluorophenyl)thio]-1-oxoethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]-4-fluorobenzoate Traditional Name: 3-[[2-[(4-acetyl-2-fluoro-phenyl)thio]acetyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C18H15F2NO4S MolecularWeight: 379.377806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F2NO4S/c1-10(22)11-4-6-16(14(20)7-11)26-9-17(23)21-15-8-12(18(24)25-2)3-5-13(15)19/h3-8H,9H2,1-2H3,(H,21,23)