2-(2-tert-butylsulfanylethanoylamino)-5-fluoranyl-benzoate

Systemtic Name: 2-(2-tert-butylsulfanylethanoylamino)-5-fluoranyl-benzoate Openeye Name: 2-[(2-tert-butylsulfanylacetyl)amino]-5-fluoro-benzoate CAS Name: 2-[[2-(tert-butylthio)-1-oxoethyl]amino]-5-fluorobenzoate IUPAC Name: 2-[(2-tert-butylsulfanylacetyl)amino]-5-fluorobenzoate Traditional Name: 2-[[2-(tert-butylthio)acetyl]amino]-5-fluoro-benzoate Formula: C13H15FNO3S- MolecularWeight: 284.326503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=C(C=C(C=C1)F)C(=O)[O-]

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=C(C=C(C=C1)F)C(=O)[O-]

InChI

InChI=1S/C13H16FNO3S/c1-13(2,3)19-7-11(16)15-10-5-4-8(14)6-9(10)12(17)18/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)/p-1