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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CCC2=CSC=C2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CCC2=CSC=C2)C(=O)O

InChI

InChI=1S/C15H13NO5S/c17-13(4-1-9-5-6-22-8-9)16-12-7-10(14(18)19)2-3-11(12)15(20)21/h2-3,5-8H,1,4H2,(H,16,17)(H,18,19)(H,20,21)