2-(3-phenylsulfanylpropanoylamino)terephthalic acid

Systemtic Name: 2-(3-phenylsulfanylpropanoylamino)terephthalic acid Openeye Name: 2-(3-phenylsulfanylpropanoylamino)terephthalic acid CAS Name: 2-[[1-oxo-3-(phenylthio)propyl]amino]terephthalic acid IUPAC Name: 2-(3-phenylsulfanylpropanoylamino)terephthalic acid Traditional Name: 2-[3-(phenylthio)propanoylamino]terephthalic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5S/c19-15(8-9-24-12-4-2-1-3-5-12)18-14-10-11(16(20)21)6-7-13(14)17(22)23/h1-7,10H,8-9H2,(H,18,19)(H,20,21)(H,22,23)