4-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(4-fluorobenzyl)thio]acetyl]amino]benzoic acid Formula: C16H14FNO3S MolecularWeight: 319.350663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NC2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C16H14FNO3S/c17-13-5-1-11(2-6-13)9-22-10-15(19)18-14-7-3-12(4-8-14)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)