2-(2-tert-butylsulfanylethanoylamino)-4-fluoranyl-benzoic acid

Systemtic Name: 2-(2-tert-butylsulfanylethanoylamino)-4-fluoranyl-benzoic acid Openeye Name: 2-[(2-tert-butylsulfanylacetyl)amino]-4-fluoro-benzoic acid CAS Name: 2-[[2-(tert-butylthio)-1-oxoethyl]amino]-4-fluorobenzoic acid IUPAC Name: 2-[(2-tert-butylsulfanylacetyl)amino]-4-fluorobenzoic acid Traditional Name: 2-[[2-(tert-butylthio)acetyl]amino]-4-fluoro-benzoic acid Formula: C13H16FNO3S MolecularWeight: 285.334443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=C(C=CC(=C1)F)C(=O)O

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=C(C=CC(=C1)F)C(=O)O

InChI

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