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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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