2-[2-(4-fluorophenyl)sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-fluorophenyl)sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(4-fluorophenyl)thio]acetyl]amino]terephthalic acid Formula: C16H12FNO5S MolecularWeight: 349.333583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12FNO5S/c17-10-2-4-11(5-3-10)24-8-14(19)18-13-7-9(15(20)21)1-6-12(13)16(22)23/h1-7H,8H2,(H,18,19)(H,20,21)(H,22,23)