2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]terephthalic acid

Systemtic Name: 2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]terephthalic acid Openeye Name: 2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]terephthalic acid CAS Name: 2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]terephthalic acid IUPAC Name: 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]terephthalic acid Traditional Name: 2-[[2-phenyl-2-(phenylthio)acetyl]amino]terephthalic acid Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C22H17NO5S/c24-20(23-18-13-15(21(25)26)11-12-17(18)22(27)28)19(14-7-3-1-4-8-14)29-16-9-5-2-6-10-16/h1-13,19H,(H,23,24)(H,25,26)(H,27,28)