2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]terephthalic acid Openeye Name: 2-[(2-indan-5-ylsulfanylacetyl)amino]terephthalic acid CAS Name: 2-[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(indan-5-ylthio)acetyl]amino]terephthalic acid Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H17NO5S/c21-17(10-26-14-6-4-11-2-1-3-12(11)8-14)20-16-9-13(18(22)23)5-7-15(16)19(24)25/h4-9H,1-3,10H2,(H,20,21)(H,22,23)(H,24,25)