2-[3-(4-fluorophenyl)sulfanylpropanoylamino]terephthalic acid

Systemtic Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]terephthalic acid Openeye Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]terephthalic acid CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]terephthalic acid Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]terephthalic acid Formula: C17H14FNO5S MolecularWeight: 363.360163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1F)SCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H14FNO5S/c18-11-2-4-12(5-3-11)25-8-7-15(20)19-14-9-10(16(21)22)1-6-13(14)17(23)24/h1-6,9H,7-8H2,(H,19,20)(H,21,22)(H,23,24)