2-(2-phenylsulfanylpropanoylamino)terephthalic acid

Systemtic Name: 2-(2-phenylsulfanylpropanoylamino)terephthalic acid Openeye Name: 2-(2-phenylsulfanylpropanoylamino)terephthalic acid CAS Name: 2-[[1-oxo-2-(phenylthio)propyl]amino]terephthalic acid IUPAC Name: 2-(2-phenylsulfanylpropanoylamino)terephthalic acid Traditional Name: 2-[2-(phenylthio)propanoylamino]terephthalic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C17H15NO5S/c1-10(24-12-5-3-2-4-6-12)15(19)18-14-9-11(16(20)21)7-8-13(14)17(22)23/h2-10H,1H3,(H,18,19)(H,20,21)(H,22,23)