2-(3-thiophen-2-ylpropanoylamino)terephthalic acid

Systemtic Name: 2-(3-thiophen-2-ylpropanoylamino)terephthalic acid Openeye Name: 2-[3-(2-thienyl)propanoylamino]terephthalic acid CAS Name: 2-[(1-oxo-3-thiophen-2-ylpropyl)amino]terephthalic acid IUPAC Name: 2-(3-thiophen-2-ylpropanoylamino)terephthalic acid Traditional Name: 2-[3-(2-thienyl)propanoylamino]terephthalic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H13NO5S/c17-13(6-4-10-2-1-7-22-10)16-12-8-9(14(18)19)3-5-11(12)15(20)21/h1-3,5,7-8H,4,6H2,(H,16,17)(H,18,19)(H,20,21)